Science.gov

Sample records for molecule processes semiannual

  1. Note on the semi-annual effect in the thermosphere

    NASA Technical Reports Server (NTRS)

    Volland, H.; Mayr, H. G.

    1972-01-01

    The semi-annual variation in the thermospheric density is discussed in terms of the spatial and temporal variations in the solar heat input. Two heat sources are considered: the solar heat input associated with the semi-annual migration of the sun, and the auroral heat associated with the semi-annual component in magnetic storms. It is shown that the relatively large global component in the semi-annual effect of the total mass density can be explained by the lack of advective loss which otherwise damps the latitude dependent components in the annual and semi-annual variations, and the significant latitude dependence in the semi-annual variations of composition and temperature can be tied to the diffusion process which is induced by the thermospheric circulation.

  2. Development of an intelligent grinding wheel for in-process monitoring of ceramic grinding. Semi-annual report {number_sign}3

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1998-03-26

    This is the third semi-annual report for the project. The overall objective of this project is to develop sensor-integrated intelligent diamond wheels for grinding of ceramics. Such wheels will be smart enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with sensors: to measure the acoustic emission (AE) and grinding force. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be trained to recognize distinct characteristics associated with truing, dressing and grinding. The technical progress is summarized in this report.

  3. HTGR process heat program design and analysis. Semiannual progress report, October 1, 1979-March 28, 1980

    SciTech Connect

    Not Available

    1980-10-01

    This report summarizes the results of concept design studies implemented at General Atomic Company (GA) during the first half of FY-80. The studies relate to a plant design for an 842-MW(t) High-Temperature Gas-Cooled Reactor utilizing an intermediate helium heat transfer loop to provide high temperature thermal energy for the production of hydrogen or synthesis gas (H/sub 2/ + CO) by steam-reforming a light hydrocarbon. Basic carbon sources may be coal, residual oil, or oil shale. Work tasks conducted during this period included the 842-MW(t) plant concept design and cost estimate for an 850/sup 0/C reactor outlet temperature. An assessment of the main-loop cooling shutdown system is reported. Major component cost models were prepared and programmed into the Process Heat Reactor Evaluation and Design (PHRED) code.

  4. Semiannual report to Congress

    SciTech Connect

    Layton, J.C.

    1991-04-01

    The issue of the Office of Inspector General (OIG) Semiannual Report to the congress covers the period from October 1, 1990, to March 31, 1991. Among the significant audits, inspections, and investigations presented in this Semiannual Report are those on environmental testing done by Department of Energy (DOE) laboratories, issues relating to the construction of the Superconducting Super Collider, control exercised by the DOE over subcontracts awarded by DOE contractors in furtherance of the Work-For-Others Program, deficiencies in DOE's oversight of the personnel security program, vendors substituting used circuit breakers in place of new ones ordered, and noncompliance with DOE documentation and reporting requirements in making and managing major system acquisitions. The Semiannual report is organized into five major sections. The first section contains brief overviews of the Department of Energy and the Office of Inspector General, as well as OIG views on current legislative matters. The second section describes the significant operational results of OIG audit, inspection, and investigative activity. The third, fourth, and fifth sections contain compilations of OIG statistical data.

  5. Non-equilibrium processes in interstellar molecules

    NASA Technical Reports Server (NTRS)

    Strelnitskiy, V. S.

    1979-01-01

    The types of nonequilibrium emission and absorption by interstellar molecules are summarized. The observed brightness emission temperatures of compact OH and H2O sources are discussed using the concept of maser amplification. A single thermodynamic approach was used in which masers and anti-masers are considered as heat engines for the theoretical interpretation of the cosmic maser and anti-maser phenomena. The requirements for different models of pumping are formulated and a classification is suggested for the mechanisms of pumping, according to the source and discharge of energy.

  6. Extending single-molecule microscopy using optical Fourier processing.

    PubMed

    Backer, Adam S; Moerner, W E

    2014-07-17

    This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules.

  7. Extending Single-Molecule Microscopy Using Optical Fourier Processing

    PubMed Central

    2015-01-01

    This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules. PMID:24745862

  8. 78 FR 11735 - Semiannual Regulatory Agenda; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-02-19

    ... February 19, 2013 Part II Small Business Administration Semiannual Regulatory Agenda; Correction #0;#0... ADMINISTRATION 13 CFR Ch. I Semiannual Regulatory Agenda; Correction AGENCY: U.S. Small Business Administration (SBA). ACTION: Semiannual Regulatory Agenda; correction. SUMMARY: This document contains a...

  9. Automated solar cell assembly teamed process research. Semiannual subcontract report, 7 January 1993--30 June 1993

    SciTech Connect

    Nowlan, M.J.; Hogan, S.J.; Darkazalli, G.; Breen, W.F.; Murach, J.M.; Sutherland, S.F.

    1994-02-01

    This report describes work done under Phase 3A of the PVMaT project to address problems that are generic to the photovoltaics (PV) industry. Crystalline silicon solar cells were used in the majority of all terrestrial power modules shipped in 1992. Spire`s analysis in Phase 1 of the PVMaT project indicated that the use of thin ({le}200-{mu}m) silicon cells can substantially reduce module manufacturing costs, provided that processing yields remain as high as they are now for processing standard thickness cells. Because present solar cell tabbing and interconnecting processes have unacceptably high yield losses with such thin cells, the objective of this Phase 3A subcontract is to use Spire`s light soldering technology and experience in designing and fabricating solar cell tabbing and interconnecting equipment to develop high yield throughput, fully automated processes for tabbing and interconnecting thin cells.

  10. Applications of cross sections for electron-molecule collision processes

    SciTech Connect

    Cartwright, D.C.

    1985-01-01

    The role of electron-molecule collision cross sections is discussed for the study of the ionospheric and auroral processes in planetary atmospheres and of discharge-pumped lasers. These two areas emphasize the importance of further theoretical and experimental studies concerning electron-impact processes. 13 refs., 3 figs., 2 tabs. (WRF)

  11. HTGR-process steam/cogeneration and HTGR-steam cycle program. Semiannual report, October 1, 1979-March 31, 1980

    SciTech Connect

    Not Available

    1980-09-01

    Progress in the design of an 1170-MW(t) High-Temperature Gas-Cooled Reactor (HTGR) Nuclear Steam Supply (NSS) is described. This NSS can integrate favorably into present petrochemical and primary metal process industries, heavy oil recovery operations, and future shale oil recovery and synfuel processes. The economics appear especially attractive in comparison with alternative coal-fired steam generation. Cost estimates for central station power-generating 2240- and 3360-MW(t) HTGR-Steam Cycle (HTGR-SC) plants are updated. The 2240-MW(t) HTGR-SC is treated to a probabilistic risk evaluation. Compared with the earlier 3000-MW(t) design, the results predict a slightly increased risk of core heatup, owing to the result of eliminating the capability of the boiler feed pump to operate at atmospheric backpressure. The differences in risk, however, are within the calculational uncertainties. Preliminary results of the ranking of safety enhancement features for the 1170-MW(t) HTGR indicate that the following modifications offer the most promise: (1) capability for main loop rundown, (2) natural circulation core auxiliary cooling, and (3) PCRV blowdown capability through the helium purification system to minimize activity release during some core heatups.

  12. Department of Transportation Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... [Department of Transportation Semiannual Regulatory Agenda ] Part XII Department of Transportation Semiannual Regulatory Agenda ] DEPARTMENT OF TRANSPORTATION (DOT) DEPARTMENT OF TRANSPORTATION Office of the Secretary 14 CFR Chs. I-III 23 CFR Chs. I-III 33 CFR Chs. I and IV 46 CFR Chs. I-III 48 CFR Ch. 12 49 CFR Subtitle A, Chs. I-VI and...

  13. Environmental Protection Agency Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... [Environmental Protection Agency Semiannual Regulatory Agenda ] Part XIV Environmental Protection Agency Semiannual Regulatory Agenda ] ENVIRONMENTAL PROTECTION AGENCY (EPA) ENVIRONMENTAL PROTECTION AGENCY 40 CFR Ch. I EPA-HQ-OA-2007-1172 EPA-HQ-OW-2010-0169 EPA-HQ-OW-2010-0166 EPA-HQ-OAR-2010-0052 Spring 2010 Regulatory Agenda...

  14. Federal Communications Commission Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... Part XVIII Federal Communications Commission Semiannual Regulatory Agenda ] FEDERAL COMMUNICATIONS COMMISSION (FCC) FEDERAL COMMUNICATIONS COMMISSION 47 CFR Ch. I Unified Agenda of Federal Regulatory and Deregulatory Actions AGENCY: Federal Communications Commission. ACTION: Semiannual regulatory agenda. SUMMARY: Twice a year, in spring and...

  15. Processive cytoskeletal motors studied with single-molecule fluorescence techniques.

    PubMed

    Belyy, Vladislav; Yildiz, Ahmet

    2014-10-01

    Processive cytoskeletal motors from the myosin, kinesin, and dynein families walk on actin filaments and microtubules to drive cellular transport and organization in eukaryotic cells. These remarkable molecular machines are able to take hundreds of successive steps at speeds of up to several microns per second, allowing them to effectively move vesicles and organelles throughout the cytoplasm. Here, we focus on single-molecule fluorescence techniques and discuss their wide-ranging applications to the field of cytoskeletal motor research. We cover both traditional fluorescence and sub-diffraction imaging of motors, providing examples of how fluorescence data can be used to measure biophysical parameters of motors such as coordination, stepping mechanism, gating, and processivity. We also outline some remaining challenges in the field and suggest future directions.

  16. A Sturmian approach for ionization processes of atoms and molecules

    NASA Astrophysics Data System (ADS)

    Ancarani, Lorenzo Ugo

    2016-09-01

    The Sturmian approach, using Generalized Sturmian Functions (GSF), is a spectral method that has been applied successfully both for structure calculations and for the study of several ionization processes with atomic targets. GSF are two-body functions that solve a Sturm-Liouville problem. They can be used as a basis set to deal with two- or three-body bound or scattering problems. By construction, the whole GSF set can be chosen to possess asymptotic conditions appropriate for the physical problem under consideration: bound-type behavior with a specific asymptotic charge are chosen for bound states, while - for example - outgoing behavior with a given adequate energy are taken for solving scattering processes. This important intrinsic property makes GSF basis sets - and thus the whole approach - computationally efficient. In the case of ionization, a specific feature of our methodology is that the scattering amplitude and the corresponding cross section are extracted directly from the asymptotic part of the scattering function without requiring the evaluation of a matrix element. Compared to the case of many-electron atoms several extra challenges occur for molecules: the scattering problem is generally multicenter and highly non-central, and the molecular orientation must also be taken into account. These features make the computational task much more cumbersome and expensive than for atomic targets. The Sturmian approach with GSF has been recently extended and implemented to study single ionization of small polyatomic molecules by photon and electron impact. Results for a variety of single and double ionization processes will be presented. This work has been done in collaboration with G. Gasaneo, D.M. Mitnik, J.M. Randazzo, F.D. Colavecchia, M.J. Ambrosio, J.A. Del Punta and C.M. Granados-Castro. We would like to acknowledge the CNRS funding (PICS project N. 06304).

  17. Single molecule study of a processivity clamp sliding on DNA

    SciTech Connect

    Laurence, T A; Kwon, Y; Johnson, A; Hollars, C; O?Donnell, M; Camarero, J A; Barsky, D

    2007-07-05

    Using solution based single molecule spectroscopy, we study the motion of the polIII {beta}-subunit DNA sliding clamp ('{beta}-clamp') on DNA. Present in all cellular (and some viral) forms of life, DNA sliding clamps attach to polymerases and allow rapid, processive replication of DNA. In the absence of other proteins, the DNA sliding clamps are thought to 'freely slide' along the DNA; however, the abundance of positively charged residues along the inner surface may create favorable electrostatic contact with the highly negatively charged DNA. We have performed single-molecule measurements on a fluorescently labeled {beta}-clamp loaded onto freely diffusing plasmids annealed with fluorescently labeled primers of up to 90 bases. We find that the diffusion constant for 1D diffusion of the {beta}-clamp on DNA satisfies D {le} 10{sup -14} cm{sup 2}/s, much slower than the frictionless limit of D = 10{sup -10} cm{sup 2}/s. We find that the {beta} clamp remains at the 3-foot end in the presence of E. coli single-stranded binding protein (SSB), which would allow for a sliding clamp to wait for binding of the DNA polymerase. Replacement of SSB with Human RP-A eliminates this interaction; free movement of sliding clamp and poor binding of clamp loader to the junction allows sliding clamp to accumulate on DNA. This result implies that the clamp not only acts as a tether, but also a placeholder.

  18. High performance photovoltaic applications using solution-processed small molecules.

    PubMed

    Chen, Yongsheng; Wan, Xiangjian; Long, Guankui

    2013-11-19

    Energy remains a critical issue for the survival and prosperity of humancivilization. Many experts believe that the eventual solution for sustainable energy is the use of direct solar energy as the main energy source. Among the options for renewable energy, photovoltaic technologies that harness solar energy offer a way to harness an unlimited resource and minimum environment impact in contrast with other alternatives such as water, nuclear, and wind energy. Currently, almost all commercial photovoltaic technologies use Si-based technology, which has a number of disadvantages including high cost, lack of flexibility, and the serious environmental impact of the Si industry. Other technologies, such as organic photovoltaic (OPV) cells, can overcome some of these issues. Today, polymer-based OPV (P-OPV) devices have achieved power conversion efficiencies (PCEs) that exceed 9%. Compared with P-OPV, small molecules based OPV (SM-OPV) offers further advantages, including a defined structure for more reproducible performance, higher mobility and open circuit voltage, and easier synthetic control that leads to more diversified structures. Therefore, while largely undeveloped, SM-OPV is an important emerging technology with performance comparable to P-OPV. In this Account, we summarize our recent results on solution-processed SM-OPV. We believe that solution processing is essential for taking full advantage of OPV technologies. Our work started with the synthesis of oligothiophene derivatives with an acceptor-donor-acceptor (A-D-A) structure. Both the backbone conjugation length and electron withdrawing terminal groups play an important role in the light absorption, energy levels and performance of the devices. Among those molecules, devices using a 7-thiophene-unit backbone and a 3-ethylrhodanine (RD) terminal unit produced a 6.1% PCE. With the optimized conjugation length and terminal unit, we borrowed from the results with P-OPV devices to optimize the backbone. Thus we

  19. Subfemtosecond directional control of chemical processes in molecules

    NASA Astrophysics Data System (ADS)

    Alnaser, Ali S.; Litvinyuk, Igor V.

    2017-02-01

    Laser pulses with a waveform-controlled electric field and broken inversion symmetry establish the opportunity to achieve directional control of molecular processes on a subfemtosecond timescale. Several techniques could be used to break the inversion symmetry of an electric field. The most common ones include combining a fundamental laser frequency with its second harmonic or with higher -frequency pulses (or pulse trains) as well as using few-cycle pulses with known carrier-envelope phase (CEP). In the case of CEP, control over chemical transformations, typically occurring on a timescale of many femtoseconds, is driven by much faster sub-cycle processes of subfemtosecond to few-femtosecond duration. This is possible because electrons are much lighter than nuclei and fast electron motion is coupled to the much slower nuclear motion. The control originates from populating coherent superpositions of different electronic or vibrational states with relative phases that are dependent on the CEP or phase offset between components of a two-color pulse. In this paper, we review the recent progress made in the directional control over chemical processes, driven by intense few-cycle laser pulses a of waveform-tailored electric field, in different molecules.

  20. Single molecule image formation, reconstruction and processing: introduction.

    PubMed

    Ashok, Amit; Piestun, Rafael; Stallinga, Sjoerd

    2016-07-01

    The ability to image at the single molecule scale has revolutionized research in molecular biology. This feature issue presents a collection of articles that provides new insights into the fundamental limits of single molecule imaging and reports novel techniques for image formation and analysis.

  1. Department of Commerce Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... Part IV Department of Commerce Semiannual Regulatory Agenda ] DEPARTMENT OF COMMERCE (DOC) DEPARTMENT OF COMMERCE Office of the Secretary 13 CFR Ch. III 15 CFR Subtitle A; Subtitle B, Chs. I, II, III, VII, VIII, IX, and XI 19 CFR Ch. III 37 CFR Chs. I, IV, and V 48 CFR Ch. 13 50 CFR Chs. II, III, IV, and VI Spring 2010 Semiannual Agenda...

  2. Semiannual Report: Oct 1, 2001 - Mar 31, 2002

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-k-01-002, May, 2002. During this semiannual reporting period, EPA's Office of Inspector General, identified Major Management Challenges which could severely impact the attainment of EPA’s mission.

  3. Semiannual Report: Oct 1, 2005 - Mar 31, 2006

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-06-004, April, 2006. Many of the reviews that we conducted during the semiannual period provided recommendations to help the Agency achieve its mission of protecting human health and the environment.

  4. Semiannual Report: Apr 1, 2006 - Sept 30, 2006

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-06-005, Oct, 2006. This semiannual report includes details on these and other issues, including a number of investigations that resulted in payments to the Federal government and criminal, civil, or administrative actions.

  5. Semiannual Report: Apr 1, 2007 - Sept 30, 2007

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-07-003, Nov, 2007. This semiannual report includes details on these and other issues, including investigations that resulted in payments to the Federal Government and criminal, civil, or administrative actions.

  6. Semiannual Report: April 1, 2001 - Sept 30, 2001

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-01-002, Nov, 2001. The report summaries included in this semiannual report clearly illustrate some of the challenges the new Administration faces in its quest to deliver efficient and effective environmental programs.

  7. 32 CFR 70.11 - DoD semiannual report.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 32 National Defense 1 2011-07-01 2011-07-01 false DoD semiannual report. 70.11 Section 70.11... DISCHARGE REVIEW BOARD (DRB) PROCEDURES AND STANDARDS § 70.11 DoD semiannual report. (a) Semiannual reports... from the first through the last days of each reporting period. (c) The report will contain four...

  8. 32 CFR 70.11 - DoD semiannual report.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 32 National Defense 1 2010-07-01 2010-07-01 false DoD semiannual report. 70.11 Section 70.11... DISCHARGE REVIEW BOARD (DRB) PROCEDURES AND STANDARDS § 70.11 DoD semiannual report. (a) Semiannual reports... from the first through the last days of each reporting period. (c) The report will contain four...

  9. Silicon technology compatible photonic molecules for compact optical signal processing

    SciTech Connect

    Barea, Luis A. M. Vallini, Felipe; Jarschel, Paulo F.; Frateschi, Newton C.

    2013-11-11

    Photonic molecules (PMs) based on multiple inner coupled microring resonators allow to surpass the fundamental constraint between the total quality factor (Q{sub T}), free spectral range (FSR), and resonator size. In this work, we use a PM that presents doublets and triplets resonance splitting, all with high Q{sub T}. We demonstrate the use of the doublet splitting for 34.2 GHz signal extraction by filtering the sidebands of a modulated optical signal. We also demonstrate that very compact optical modulators operating 2.75 times beyond its resonator linewidth limit may be obtained using the PM triplet splitting, with separation of ∼55 GHz.

  10. Loss Processes of Metastable Molecules in Cylindrical Cavity

    NASA Astrophysics Data System (ADS)

    Suzuki, Susumu; Itoh, Haruo

    2000-10-01

    Assuming a closed cylindrical volume, the spatiotemporal variation of the density distribution of the metastable molecules N_2(A^3Σ_u^+) in the cylindrical volume are calculated from the diffusion equation analysis under the different reflection coefficients at the flat electrode surfaces and at the cylindrical wall.(S.Suzuki, H.Itoh, N.Ikuta and H.Sekizawa:Jpn. J. Appl. Phys., 39, 1333, 2000)(S. Suzuki, H. Itoh, H. Sekizawa and N. Ikuta: Papers of Technical Meeting on Electrical Discharges, ED-98-128, 17, 1998 (in Japanese)) We solve the diffusion equation by separation of variables using the boundary condition of the third kind that is taken account of the reflection at the electrode surfaces.(S. Suzuki, H. Itoh, N. Ikuta and H. Sekizawa: J. Phys. D : Appl. Phys., 25, 1568, 1992) The obtained solution of the diffusion equation are possible to describe the density profiles along the longitudinal and the radial directions. The influence of the density distribution by the different reflection coefficient at each of electrodes and at the cylindrical wall is investigated. Furthermore, the effective lifetime of the diffusing metastable molecules is also discussed under different reflection coefficients.

  11. Low-rank coal research semiannual report, January 1992--June 1992

    SciTech Connect

    Not Available

    1992-12-31

    This semiannual report is a compilation of seventeen reports on ongoing coal research at the University of North Dakota. The following research areas are covered: control technology and coal preparation; advanced research and technology development; combustion; liquefaction and gasification. Individual papers have been processed separately for inclusion in the Energy Science and Technology Database.

  12. Department of Transportation Agency Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ... [The Regulatory Plan and Unified Agenda of Federal Regulatory and Deregulatory Actions] Part XIII Department of Transportation Semiannual Regulatory Agenda ] DEPARTMENT OF TRANSPORTATION (DOT) DEPARTMENT OF TRANSPORTATION Office of the Secretary 14 CFR Chs. I-III 23 CFR Chs. I-III 33 CFR Chs. I and IV 46 CFR Chs. I-III 48 CFR Ch. 12 49...

  13. 75 FR 79925 - Semiannual Regulatory Flexibility Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    .... II Semiannual Regulatory Flexibility Agenda AGENCY: Board of Governors of the Federal Reserve System... Flexibility Act and the Board's Statement of Policy Regarding Expanded Rulemaking Procedures. The Board... Regulatory Flexibility Act, and public comment is invited on those entries. The complete Unified Agenda...

  14. 77 FR 8072 - Semiannual Regulatory Flexibility Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-13

    .... II Semiannual Regulatory Flexibility Agenda AGENCY: Board of Governors of the Federal Reserve System... Flexibility Act and the Board's Statement of Policy Regarding Expanded Rulemaking Procedures. The Board... Regulatory Flexibility Act, and public comment is invited on those entries. The complete Unified Agenda...

  15. Department of Education Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ... Department of Education Semiannual Regulatory Agenda ] DEPARTMENT OF EDUCATION (ED) DEPARTMENT OF EDUCATION... Executive Order 12866, dated September 30, 1993, requires the Department of Education (ED) to publish, at a... Flexibility Act, 5 U.S.C. 602(a), requires ED to publish, in October and April of each year, a...

  16. Development of an `intelligent grinding wheel` for in-process monitoring of ceramic grinding. Semi-annual report No. 2, March 1, 1997--August 31, 1997

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1997-09-29

    The overall objective of this project is to develop sensor-integrated `intelligent` diamond wheels for grinding ceramics. Such wheels will be `smart` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with two types of sensors: acoustic emission (AE) and dynamic force transducers. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Intelligent wheels will be `trained` to recognize distinct characteristics associated with truing, dressing and grinding.

  17. Development of an ``intelligent grinding wheel`` for in-process monitoring of ceramic grinding. Semi-annual report {number_sign}1

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1997-03-27

    The overall objective of this project is to develop sensor-integrated ``intelligent`` diamond wheels for grinding of ceramics. Such wheels will be ``smart`` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize reusable cores integrated with two types of sensors: acoustic emission (AE) and dynamic force transducers. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be ``trained`` to recognize distinct characteristics associated with truing, dressing and grinding.

  18. Gaussian Process Model for Collision Dynamics of Complex Molecules.

    PubMed

    Cui, Jie; Krems, Roman V

    2015-08-14

    We show that a Gaussian process model can be combined with a small number (of order 100) of scattering calculations to provide a multidimensional dependence of scattering observables on the experimentally controllable parameters (such as the collision energy or temperature) as well as the potential energy surface (PES) parameters. For the case of Ar-C_{6}H_{6} collisions, we show that 200 classical trajectory calculations are sufficient to provide a ten-dimensional hypersurface, giving the dependence of the collision lifetimes on the collision energy, internal temperature, and eight PES parameters. This can be used for solving the inverse scattering problem, for the efficient calculation of thermally averaged observables, for reducing the error of the molecular dynamics calculations by averaging over the PES variations, and for the analysis of the sensitivity of the observables to individual parameters determining the PES. Trained by a combination of classical and quantum calculations, the model provides an accurate description of the quantum scattering cross sections, even near scattering resonances.

  19. Development of an ``intelligent grinding wheel`` for in-process monitoring of ceramic grinding. Semi-annual report {number_sign}4

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1998-09-30

    The overall objective of this project is to develop sensor-integrated ``intelligent`` diamond wheels for grinding of ceramics. Such wheels will be ``smart`` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with sensors: to measure the acoustic emission (AE) and grinding force. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be ``trained`` to recognize distinct characteristics associated with truing, dressing and grinding. This overall project is divided into six tasks as follows: (1) development of miniaturized sensors and data transmission system; (2) wheel design and sensor configuration; (3) calibration of the sensor integrated wheel; (4) training of the intelligent wheel; (5) grinding tests; and (6) prototype demonstration. The technical progress is summarized in this report according to the tasks. All activity during this period has been concerned with the first two interrelated tasks, which need to be completed before undertaking the remaining tasks.

  20. Competitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixtures

    PubMed Central

    Knorr, Johannes; Sokkar, Pandian; Schott, Sebastian; Costa, Paolo; Thiel, Walter; Sander, Wolfram; Sanchez-Garcia, Elsa; Nuernberger, Patrick

    2016-01-01

    Photochemical reactions in solution often proceed via competing reaction pathways comprising intermediates that capture a solvent molecule. A disclosure of the underlying reaction mechanisms is challenging due to the rapid nature of these processes and the intricate identification of how many solvent molecules are involved. Here combining broadband femtosecond transient absorption and quantum mechanics/molecular mechanics simulations, we show for one of the most reactive species, diphenylcarbene, that the decision-maker is not the nearest solvent molecule but its neighbour. The hydrogen bonding dynamics determine which reaction channels are accessible in binary solvent mixtures at room temperature. In-depth analysis of the amount of nascent intermediates corroborates the importance of a hydrogen-bonded complex with a protic solvent molecule, in striking analogy to complexes found at cryogenic temperatures. Our results show that adjacent solvent molecules take the role of key abettors rather than bystanders for the fate of the reactive intermediate. PMID:27708264

  1. Processive translocation and DNA unwinding by individual RecBCD enzyme molecules

    NASA Astrophysics Data System (ADS)

    Bianco, Piero R.; Brewer, Laurence R.; Corzett, Michele; Balhorn, Rod; Yeh, Yin; Kowalczykowski, Stephen C.; Baskin, Ronald J.

    2001-01-01

    RecBCD enzyme is a processive DNA helicase and nuclease that participates in the repair of chromosomal DNA through homologous recombination. We have visualized directly the movement of individual RecBCD enzymes on single molecules of double-stranded DNA (dsDNA). Detection involves the optical trapping of solitary, fluorescently tagged dsDNA molecules that are attached to polystyrene beads, and their visualization by fluorescence microscopy. Both helicase translocation and DNA unwinding are monitored by the displacement of fluorescent dye from the DNA by the enzyme. Here we show that unwinding is both continuous and processive, occurring at a maximum rate of 972 +/- 172 base pairs per second (0.30µms-1), with as many as 42,300base pairs of dsDNA unwound by a single RecBCD enzyme molecule. The mean behaviour of the individual RecBCD enzyme molecules corresponds to that observed in bulk solution.

  2. Synthesis of many different types of organic small molecules using one automated process.

    PubMed

    Li, Junqi; Ballmer, Steven G; Gillis, Eric P; Fujii, Seiko; Schmidt, Michael J; Palazzolo, Andrea M E; Lehmann, Jonathan W; Morehouse, Greg F; Burke, Martin D

    2015-03-13

    Small-molecule synthesis usually relies on procedures that are highly customized for each target. A broadly applicable automated process could greatly increase the accessibility of this class of compounds to enable investigations of their practical potential. Here we report the synthesis of 14 distinct classes of small molecules using the same fully automated process. This was achieved by strategically expanding the scope of a building block-based synthesis platform to include even C(sp3)-rich polycyclic natural product frameworks and discovering a catch-and-release chromatographic purification protocol applicable to all of the corresponding intermediates. With thousands of compatible building blocks already commercially available, many small molecules are now accessible with this platform. More broadly, these findings illuminate an actionable roadmap to a more general and automated approach for small-molecule synthesis.

  3. A-D-A small molecules for solution-processed organic photovoltaic cells.

    PubMed

    Ni, Wang; Wan, Xiangjian; Li, Miaomiao; Wang, Yunchuang; Chen, Yongsheng

    2015-03-25

    A-D-A small molecules have drawn more and more attention in solution-processed organic solar cells due to the advantages of a diversity of structures, easy control of energy levels, etc. Recently, a power conversion efficiency of nearly 10% has been achieved through careful material design and device optimization. This feature article reviews recent representative progress in the design and application of A-D-A small molecules in organic photovoltaic cells.

  4. Princeton VLSI Project: Semi-Annual Report.

    DTIC Science & Technology

    1982-11-01

    A’D-A149 588 PRINCETON VLSI PROJECT: SEMI-ANNUAL REPORT(U) PRINCETON i/i UNIV NJ DEPT OF ELECTRICAL ENGINEERING AND COMPUTER SCIENCE R J LIPTON 91...logic. We plan further experiments to further vali- date these results. Finally, we have also found a way to transform any combinational logic cir...Programming Richard J. Lptoi4 Sftp3 , C Nerth - Robert 5edgeutck Jacobo Vaides tDepartment of Electrical Engineering and Computer Science Princeton

  5. Environmental Protection Agency Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ... [The Regulatory Plan and Unified Agenda of Federal Regulatory and Deregulatory Actions] Part XV Environmental Protection Agency Semiannual Regulatory Agenda ] ENVIRONMENTAL PROTECTION AGENCY (EPA) ENVIRONMENTAL PROTECTION AGENCY 40 CFR Ch. I EPA-HQ-OA-2007-1172 EPA-HQ-OW-2010-0169 EPA-HQ-OW-2010-0166 EPA-HQ-OAR-2010-0052 EPA-HQ-OW-2010-0728...

  6. Solution processable organic polymers and small molecules for bulk-heterojunction solar cells: A review

    SciTech Connect

    Sharma, G. D.

    2011-10-20

    Solution processed bulk heterojunction (BHJ) organic solar cells (OSCs) have gained wide interest in past few years and are established as one of the leading next generation photovoltaic technologies for low cost power production. Power conversion efficiencies up to 6% and 6.5% have been reported in the literature for single layer and tandem solar cells, respectively using conjugated polymers. A recent record efficiency about 8.13% with active area of 1.13 cm{sup 2} has been reported. However Solution processable small molecules have been widely applied for photovoltaic (PV) devices in recent years because they show strong absorption properties, and they can be easily purified and deposited onto flexible substrates at low cost. Introducing different donor and acceptor groups to construct donor--acceptor (D--A) structure small molecules has proved to be an efficient way to improve the properties of organic solar cells (OSCs). The power conversion efficiency about 4.4 % has been reported for OSCs based on the small molecules. This review deals with the recent progress of solution processable D--A structure small molecules and discusses the key factors affecting the properties of OSCs based on D--A structure small molecules: sunlight absorption, charge transport and the energy level of the molecules.

  7. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 1 2012-04-01 2012-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  8. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  9. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 24 Housing and Urban Development 1 2012-04-01 2012-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  10. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 1 2014-04-01 2014-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  11. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 24 Housing and Urban Development 1 2014-04-01 2014-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  12. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  13. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 24 Housing and Urban Development 1 2013-04-01 2013-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  14. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  15. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 1 2013-04-01 2013-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  16. Semiannual Report: Apr 1, 2009 - Sept 30, 2009

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-09-036, Nov, 2009. The OIG took numerous steps during the past semiannual reporting period to help the EPA properly and efficiently spend the $7.2 billion it has received under the American Recovery & Reinvestment Act of 2009.

  17. Semiannual Report: Oct 1, 2004 - Mar 31, 2005

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-05-002, April, 2005. During this semiannual reporting period, two of our more important activities focused on the efforts of the EPA to make air safe and healthy to breathe, and to help improve homeland security.

  18. 77 FR 25523 - Semi-Annual Workforce Management Conference

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-30

    ... Office of the Secretary Semi-Annual Workforce Management Conference AGENCY: U.S. Department of... of Transportation, Office of the Secretary, announces the second Semi-Annual Workforce Management... for addressing labor/management issues, and safety. Registration Space is limited. Registration...

  19. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 2 2011-04-01 2009-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  20. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 2 2014-04-01 2014-04-01 false Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  1. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 2 2012-04-01 2009-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  2. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  3. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 2 2013-04-01 2009-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  4. Processing of giant graphene molecules by soft-landing mass spectrometry.

    PubMed

    Räder, Hans Joachim; Rouhanipour, Ali; Talarico, Anna Maria; Palermo, Vincenzo; Samorì, Paolo; Müllen, Klaus

    2006-04-01

    The processability of giant (macro)molecules into ultrapure and highly ordered structures at surfaces is of fundamental importance for studying chemical, physical and biological phenomena, as well as their exploitation as active units in the fabrication of hybrid devices. The possibility of handling larger and larger molecules provides access to increasingly complex functions. Unfortunately, larger molecules commonly imply lower processability due to either their low solubility in liquid media or the occurrence of thermal cracking during vacuum sublimation. The search for novel strategies to process and characterize giant building blocks is therefore a crucial goal in materials science. Here we describe a new general route to process, at surfaces, extraordinarily large molecules, that is, synthetic nanographenes, into ultrapure crystalline architectures. Our method relies on the soft-landing of ions generated by solvent-free matrix-assisted laser desorption/ionization (MALDI). The nanographenes are transferred to the gas phase, purified and adsorbed at surfaces. Scanning tunnelling microscopy reveals the formation of ordered nanoscale semiconducting supramolecular architectures. The unique flexibility of this approach allows the growth of ultrapure crystalline films of various systems, including organic, inorganic and biological molecules, and therefore it can be of interest for technological applications in the fields of electronics, (bio)catalysis and nanomedicine.

  5. Small molecule solution-processed bulk heterojunction solar cells with inverted structure using porphyrin donor

    NASA Astrophysics Data System (ADS)

    Yamamoto, Takaki; Hatano, Junichi; Nakagawa, Takafumi; Yamaguchi, Shigeru; Matsuo, Yutaka

    2013-01-01

    Utilizing tetraethynyl porphyrin derivative (TE-Por) as a small molecule donor material, we fabricated a small molecule solution-processed bulk heterojunction (BHJ) solar cell with inverted structure, which exhibited 1.6% power conversion efficiency (JSC (short-circuit current) = 4.6 mA/cm2, VOC (open-circuit voltage) = 0.90 V, and FF (fill factor) = 0.39) in the device configuration indium tin oxide/TiOx (titanium sub-oxide)/[6,6]-phenyl-C61-butyric acid methyl ester:TE-Por (5:1)/MoOx (molybdenum sub-oxide)/Au under AM1.5 G illumination at 100 mW/cm2. Without encapsulation, the small molecule solution-processed inverted BHJ solar cell also showed remarkable durability to air, where it kept over 73% of its initial power conversion efficiency after storage for 28 days under ambient atmosphere in the dark.

  6. Ionization Properties of Molecules Commonly Used for Plasma Processing of Semi-Conductors

    NASA Technical Reports Server (NTRS)

    Srivastava, S. K.

    2000-01-01

    Two types of processes are involved in plasma processing of semi-conductors. They are: plasma etching or cleaning and plasma deposition of the semi-conducting materials. For plasma etching of semi-conductors mostly halogen containing gases are used as additives to gases such as O2 and N2. For plasma deposition gases such as C2H2, SiH4, Si2H6 have been tested in the past. For an optimal performance of a reactor it is important to model the plasma. In this modeling effort electron impact excitation and ionization cross sections play a central role. For ionization balance calculations values of ionization cross sections are needed. Ion molecule reactions determine the ultimate composition of the plasma. Recently it has been discovered that the by products of many of these plasmas are per fluro hydrocarbons (PFCs) which are highly infrared absorbing species and have long life times in the atmosphere. They cause global warming. A lot of research is being pursued at the present time to find alternative molecules which do not produce global warming gases as the and product of the plasma processing reactor. There is also interest in the ionization and dissociative ionization properties of these molecules from the point view of the plasma abatement of the pollutant gases at the exhaust of the semi-conductor processing reactors. At the conference ionization and dissociative ionization properties of some of these molecules will be presented.

  7. A Simple Reduction Process for the Normal Vibrational Modes Occurring in Linear Molecules

    ERIC Educational Resources Information Center

    McInerny, William

    2005-01-01

    The students in molecular spectroscopy courses are often required to determine the permitted normal vibrations for linear molecules that belong to particular groups. The reducible group representations generated by the use of Cartesian coordinates can be reduced by the use of a simple algebraic process applied to the group representations. The…

  8. Preface: Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON)

    NASA Astrophysics Data System (ADS)

    Kövér, László

    2016-02-01

    This Special Issue contains selected papers of contributions presented in the International Workshop on Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON), held between March 24 and 26, 2015 in Debrecen, Hungary. The venue, the Aquaticum Thermal and Wellness Hotel provided a pleasant ;all-under-one-roof; environment for the event.

  9. Investigation of fragmentation processes following core photoionization of organometallic molecules in the vapor phase

    NASA Astrophysics Data System (ADS)

    Nagaoka, Shin-ichi; Suzuki, Shinzo; Koyano, Inosuke

    1988-04-01

    Ionic fragmentation processes following ( n - 1)d core level photoionization of organometallic molecules have been studied in the vapor phase using synchrotron radiation. Results on tetramethyllead, tetramethyltin and tetramethylgermanium are reported. The threshold electron spectra and the photoionization efficiency curves of these molecules are presented and discussed. It is concluded that the ( n - 1)d 9 core-hole state of M(CH 3) 4 (M  Pb, Sn or Ge) is split into five sublevels owing to both the spin-orbi and the electrostatic perturbations by the methyl groups, and that the M + ions are predominantly produced following ( n - 1)d photoionization.

  10. Processing of joint molecule intermediates by structure-selective endonucleases during homologous recombination in eukaryotes.

    PubMed

    Schwartz, Erin K; Heyer, Wolf-Dietrich

    2011-04-01

    Homologous recombination is required for maintaining genomic integrity by functioning in high-fidelity repair of DNA double-strand breaks and other complex lesions, replication fork support, and meiotic chromosome segregation. Joint DNA molecules are key intermediates in recombination and their differential processing determines whether the genetic outcome is a crossover or non-crossover event. The Holliday model of recombination highlights the resolution of four-way DNA joint molecules, termed Holliday junctions, and the bacterial Holliday junction resolvase RuvC set the paradigm for the mechanism of crossover formation. In eukaryotes, much effort has been invested in identifying the eukaryotic equivalent of bacterial RuvC, leading to the discovery of a number of DNA endonucleases, including Mus81-Mms4/EME1, Slx1-Slx4/BTBD12/MUS312, XPF-ERCC1, and Yen1/GEN1. These nucleases exert different selectivity for various DNA joint molecules, including Holliday junctions. Their mutant phenotypes and distinct species-specific characteristics expose a surprisingly complex system of joint molecule processing. In an attempt to reconcile the biochemical and genetic data, we propose that nicked junctions constitute important in vivo recombination intermediates whose processing determines the efficiency and outcome (crossover/non-crossover) of homologous recombination.

  11. Note on the semiannual effect in the thermosphere.

    NASA Technical Reports Server (NTRS)

    Volland, H.; Mayr, H. G.

    1973-01-01

    There are two external heat sources known that oscillate with a period of half a year: (1) the solar heat input associated with the semiannual migration of the subsolar point between both hemispheres, which peaks at the equator and which is small in comparison with that in the annual component, and (2) the auroral heat input associated with the semiannual component in the occurrence of magnetic storms. An attempt is made to show that a number of apparent conflicts in the description and interpretation of the semiannual effect can be resolved by considering some of the dynamic properties of the thermosphere.

  12. Solution-processed small-molecule solar cells: breaking the 10% power conversion efficiency.

    PubMed

    Liu, Yongsheng; Chen, Chun-Chao; Hong, Ziruo; Gao, Jing; Yang, Yang Michael; Zhou, Huanping; Dou, Letian; Li, Gang; Yang, Yang

    2013-11-28

    A two-dimensional conjugated small molecule (SMPV1) was designed and synthesized for high performance solution-processed organic solar cells. This study explores the photovoltaic properties of this molecule as a donor, with a fullerene derivative as an acceptor, using solution processing in single junction and double junction tandem solar cells. The single junction solar cells based on SMPV1 exhibited a certified power conversion efficiency of 8.02% under AM 1.5 G irradiation (100 mW cm(-2)). A homo-tandem solar cell based on SMPV1 was constructed with a novel interlayer (or tunnel junction) consisting of bilayer conjugated polyelectrolyte, demonstrating an unprecedented PCE of 10.1%. These results strongly suggest solution-processed small molecular materials are excellent candidates for organic solar cells.

  13. Information entropy of activation process: Application for low-temperature fluctuations of a myoglobin molecule

    NASA Astrophysics Data System (ADS)

    Stepanov, A. V.

    2015-11-01

    Activation process for unimolecular reaction has been considered by means of radiation theory. The formulae of information entropy of activation have been derived for the Boltzmann-Arrhenius model and the activation process model (APM). The physical meaning of this entropy has been determined. It is a measure of conversion of thermal radiation energy to mechanical energy that moves atoms in a molecule during elementary activation act. It is also a measure of uncertainty of this energy conversion. The uncertainty is due to unevenness of distribution function representing the activation process. It has been shown that Arrhenius dependence is caused by the entropy change. Efficiency comparison of the two models under consideration for low-temperature fluctuations of a myoglobin molecule structure shows that the APM should be favored over the Boltzmann-Arrhenius one.

  14. Gamma-ray spectra from low-energy positron annihilation processes in molecules

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoguang; Wang, Meishan; Zhu, Yinghao; Liu, Yang; Yang, Chuanlu; Wang, Dehua

    2016-11-01

    The theoretical γ -ray spectra from positron-electron annihilation process in a wide variety of atoms and molecules are studied. The theoretical Doppler broadened γ -ray spectra for core, inner valence, and outer valence electrons of these molecules are studied systematically. The present results show that the experimental γ -ray spectra agree well with inner valence electrons, especially the lowest occupied valence orbital electrons rather than the outer valence electrons. These inner valence electrons show a strong correlation with the corresponding available experimental measurements. These findings are interesting because the outer valence electrons have been supposed to have larger probability annihilating with positrons rather than the inner valence electrons. The present work also suggests that the accurate positron wave functions must be involved to identify the dominance of the bound electrons clearly in positron-electron annihilation process.

  15. Role of impurity molecules in radiation-initiated processes in solid carbohydrates

    SciTech Connect

    Kavetskii, V.G.; Yudin, I.V.

    1992-09-01

    Extension of the use of ionizing radiation for sterilization of medicinal preparations is stimulating the study of radiation-initiated processes in solid polyhydroxyl matrixes containing impurities of various organic substances. Such investigations make it possible to establish common characteristics of the effect of impurity molecules on the radiolysis of organic crystals. The materials of the investigation were lactose and rhamnose, precipitated by slow evaporation of the solvent from saturated aqueous solutions with different dihydroxyacetone contents. 4 refs., 1 fig.

  16. Testing Landscape Theory for Biomolecular Processes with Single Molecule Fluorescence Spectroscopy

    NASA Astrophysics Data System (ADS)

    Truex, Katherine; Chung, Hoi Sung; Louis, John M.; Eaton, William A.

    2015-07-01

    Although Kramers' theory for diffusive barrier crossing on a 1D free energy profile plays a central role in landscape theory for complex biomolecular processes, it has not yet been rigorously tested by experiment. Here we test this 1D diffusion scenario with single molecule fluorescence measurements of DNA hairpin folding. We find an upper bound of 2.5 μ s for the average transition path time, consistent with the predictions by theory with parameters determined from optical tweezer measurements.

  17. Semiannual Report: Apr 1, 2012 - Sept 30, 2012

    EPA Pesticide Factsheets

    Semiannual Report #EPA‐350‐R‐12‐003, Nov, 2012. Our work will continue to add value and assist the Agency in accomplishing its mission of safeguarding the health of the American people and protecting the environment.

  18. Semiannual Report: Oct 1, 2010 - Mar 31, 2011

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-11-005, May, 2011. The dedicated staff of the OIG will continue to do its best to ensure that Agency programs achieve their intended results and that its funds are properly expended.

  19. Semiannual Report: Oct 1, 2009 - Mar 31, 2010

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-10-004, May, 2010. EPA continues to face challenges in using its funds and accomplishing its mission in an efficient and effective manner, particularly concerning Recovery Act projects.

  20. Semiannual Report: Oct 1, 2012 - Mar 31, 2013

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-13-001, May, 2013. The EPA and the OIG remain responsible stewards of taxpayer dollars, striving to add value and transparency and assisting the agency in accomplishing its mission.

  1. Semiannual Report: Oct 1, 2014 - Mar 31, 2015

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-15-001, May, 2015. This report contains numerous examples where the agency could have put funds to better use, done more to improve efficiencies, or improved business practices and accountability.

  2. Semiannual Report: Oct 1, 2002 - Mar 31, 2003

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-03-001, May, 2003. The OIG completed a number of investigations, audits, and evaluations that demonstrate our commitment to help EPA better deliver cost-effective solutions to pressing environmental problems.

  3. Semiannual Report: Apr 1, 2015 - Sept 30, 2015

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-15-002, Nov, 2015. During this period, witnesses from the EPA OIG testified at congressional hearings, and the OIG produced reports in response to congressional requests, demonstrating their continued interest in our work.

  4. 48 CFR 1422.406-13 - Semiannual enforcement reports.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Involving Construction 1422.406-13 Semiannual enforcement reports. PAM is responsible for submitting the report required by FAR 22.406-13 to DOL. In accordance with DOL memoranda, PAM requires bureaus to...

  5. Semiannual Report: Apr 1, 2003 - Sept 30, 2003

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-03-002, Nov, 2003. We recently issued a major report examining how EPA responded to the crisis at the World Trade Center following the terrorist attacks on September 11, 2001.

  6. An anchor-dependent molecular docking process for docking small flexible molecules into rigid protein receptors.

    PubMed

    Lin, Thy-Hou; Lin, Guan-Liang

    2008-08-01

    A molecular docking method designated as ADDock, anchor-dependent molecular docking process for docking small flexible molecules into rigid protein receptors, is presented in this article. ADDock makes the bond connection lists for atoms based on anchors chosen for building molecular structures for docking small flexible molecules or ligands into rigid active sites of protein receptors. ADDock employs an extended version of piecewise linear potential for scoring the docked structures. Since no translational motion for small molecules is implemented during the docking process, ADDock searches the best docking result by systematically changing the anchors chosen, which are usually the single-edge connected nodes or terminal hydrogen atoms of ligands. ADDock takes intact ligand structures generated during the docking process for computing the docked scores; therefore, no energy minimization is required in the evaluation phase of docking. The docking accuracy by ADDock for 92 receptor-ligand complexes docked is 91.3%. All these complexes have been docked by other groups using other docking methods. The receptor-ligand steric interaction energies computed by ADDock for some sets of active and inactive compounds selected and docked into the same receptor active sites are apparently separated. These results show that based on the steric interaction energies computed between the docked structures and receptor active sites, ADDock is able to separate active from inactive compounds for both being docked into the same receptor.

  7. First Semiannual Report of the National Aeronautics and Space Administration

    NASA Technical Reports Server (NTRS)

    Glennan, T. Keith

    1959-01-01

    The First Semiannual Report of the National Aeronautics and Space Administration (NASA) is submitted to Congress pursuant to section 206 (a) of the National Aeronautics and Space Act of 1958 (Public Law 85-568) to provide for research into problems of flight within and outside the Earth's atmosphere, which states: The Administration shall submit to the President for transmittal to Congress, semiannually and at such other times as it deems desirable, a report on its activities and accomplishments.

  8. Formation and Destruction Processes of Interstellar Dust: From Organic Molecules to carbonaceous Grains

    NASA Technical Reports Server (NTRS)

    Salama, F.; Biennier, L.

    2004-01-01

    The study of the formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. interstellar dust presents a continuous size distribution from large molecules, radicals and ions to nanometer-sized particles to micron-sized grains. The lower end of the dust size distribution is thought to be responsible for the ubiquitous spectral features that are seen in emission in the IR (UIBs) and in absorption in the visible (DIBs). The higher end of the dust-size distribution is thought to be responsible for the continuum emission plateau that is seen in the IR and for the strong absorption seen in the interstellar UV extinction curve. All these spectral signatures are characteristic of cosmic organic materials that are ubiquitous and present in various forms from gas-phase molecules to solid-state grains. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of dust. Recent space observations in the UV (HST) and in the IR (ISO) help place size constraints on the molecular component of carbonaceous IS dust and indicate that small (ie., subnanometer) PAHs cannot contribute significantly to the IS features in the UV and in the IR. Studies of large molecular and nano-sized IS dust analogs formed from PAH precursors have been performed in our laboratory under conditions that simulate diffuse ISM environments (the particles are cold -100 K vibrational energy, isolated in the gas phase and exposed to a high-energy discharge environment in a cold plasma). The species (molecules, molecular fragments, ions, nanoparticles, etc) formed in the pulsed discharge nozzle (PDN) plasma source are detected with a high-sensitivity cavity ring-down spectrometer (CRDS). We will present new experimental results that indicate that nanoparticles are generated in the

  9. Gaussian process model for extrapolation of scattering observables for complex molecules: From benzene to benzonitrile

    SciTech Connect

    Cui, Jie; Krems, Roman V.; Li, Zhiying

    2015-10-21

    We consider a problem of extrapolating the collision properties of a large polyatomic molecule A–H to make predictions of the dynamical properties for another molecule related to A–H by the substitution of the H atom with a small molecular group X, without explicitly computing the potential energy surface for A–X. We assume that the effect of the −H →−X substitution is embodied in a multidimensional function with unknown parameters characterizing the change of the potential energy surface. We propose to apply the Gaussian Process model to determine the dependence of the dynamical observables on the unknown parameters. This can be used to produce an interval of the observable values which corresponds to physical variations of the potential parameters. We show that the Gaussian Process model combined with classical trajectory calculations can be used to obtain the dependence of the cross sections for collisions of C{sub 6}H{sub 5}CN with He on the unknown parameters describing the interaction of the He atom with the CN fragment of the molecule. The unknown parameters are then varied within physically reasonable ranges to produce a prediction uncertainty of the cross sections. The results are normalized to the cross sections for He — C{sub 6}H{sub 6} collisions obtained from quantum scattering calculations in order to provide a prediction interval of the thermally averaged cross sections for collisions of C{sub 6}H{sub 5}CN with He.

  10. Gaussian process model for extrapolation of scattering observables for complex molecules: From benzene to benzonitrile.

    PubMed

    Cui, Jie; Li, Zhiying; Krems, Roman V

    2015-10-21

    We consider a problem of extrapolating the collision properties of a large polyatomic molecule A-H to make predictions of the dynamical properties for another molecule related to A-H by the substitution of the H atom with a small molecular group X, without explicitly computing the potential energy surface for A-X. We assume that the effect of the -H →-X substitution is embodied in a multidimensional function with unknown parameters characterizing the change of the potential energy surface. We propose to apply the Gaussian Process model to determine the dependence of the dynamical observables on the unknown parameters. This can be used to produce an interval of the observable values which corresponds to physical variations of the potential parameters. We show that the Gaussian Process model combined with classical trajectory calculations can be used to obtain the dependence of the cross sections for collisions of C6H5CN with He on the unknown parameters describing the interaction of the He atom with the CN fragment of the molecule. The unknown parameters are then varied within physically reasonable ranges to produce a prediction uncertainty of the cross sections. The results are normalized to the cross sections for He - C6H6 collisions obtained from quantum scattering calculations in order to provide a prediction interval of the thermally averaged cross sections for collisions of C6H5CN with He.

  11. Multiscale Molecular Simulation of Solution Processing of SMDPPEH: PCBM Small-Molecule Organic Solar Cells.

    PubMed

    Lee, Cheng-Kuang; Pao, Chun-Wei

    2016-08-17

    Solution-processed small-molecule organic solar cells are a promising renewable energy source because of their low production cost, mechanical flexibility, and light weight relative to their pure inorganic counterparts. In this work, we developed a coarse-grained (CG) Gay-Berne ellipsoid molecular simulation model based on atomistic trajectories from all-atom molecular dynamics simulations of smaller system sizes to systematically study the nanomorphology of the SMDPPEH/PCBM/solvent ternary blend during solution processing, including the blade-coating process by applying external shear to the solution. With the significantly reduced overall system degrees of freedom and computational acceleration from GPU, we were able to go well beyond the limitation of conventional all-atom molecular simulations with a system size on the order of hundreds of nanometers with mesoscale molecular detail. Our simulations indicate that, similar to polymer solar cells, the optimal blending ratio in small-molecule organic solar cells must provide the highest specific interfacial area for efficient exciton dissociation, while retaining balanced hole/electron transport pathway percolation. We also reveal that blade-coating processes have a significant impact on nanomorphology. For given donor/acceptor blending ratios, applying an external shear force can effectively promote donor/acceptor phase segregation and stacking in the SMDPPEH domains. The present study demonstrated the capability of an ellipsoid-based coarse-grained model for studying the nanomorphology evolution of small-molecule organic solar cells during solution processing/blade-coating and provided links between fabrication protocols and device nanomorphologies.

  12. 40 CFR 60.1420 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... first half of a calendar year, submit your semiannual report by August 1 of that year. (b) For data you collected during the second half of the calendar year, submit your semiannual report by February 1 of...

  13. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 31 Money and Finance:Treasury 2 2012-07-01 2012-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find...

  14. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance:Treasury 2 2011-07-01 2011-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find...

  15. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 31 Money and Finance:Treasury 2 2013-07-01 2013-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find...

  16. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Composite Semiannual Rate Period... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find...

  17. 31 CFR 359.11 - What is the semiannual inflation rate?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false What is the semiannual inflation rate... BONDS, SERIES I General Information § 359.11 What is the semiannual inflation rate? The index used to determine the semiannual inflation rate is the non-seasonally adjusted CPI-U (the Consumer Price Index...

  18. 31 CFR 359.11 - What is the semiannual inflation rate?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance:Treasury 2 2011-07-01 2011-07-01 false What is the semiannual inflation rate... BONDS, SERIES I General Information § 359.11 What is the semiannual inflation rate? The index used to determine the semiannual inflation rate is the non-seasonally adjusted CPI-U (the Consumer Price Index...

  19. Characteristics of the Johari-Goldstein process in rigid asymmetric molecules.

    PubMed

    Fragiadakis, D; Roland, C M

    2013-10-01

    Molecular dynamics simulations were carried out on a Lennard-Jones binary mixture of rigid (fixed bond length) diatomic molecules. The translational and rotational correlation functions, and the corresponding susceptibilities, exhibit two relaxation processes: the slow structural relaxation (α dynamics) and a higher frequency secondary relaxation. The latter is a Johari-Goldstein (JG) process, by its definition of involving all parts of the molecule. It shows several properties characteristic of the JG relaxation: (1) merging with the α relaxation at high temperature; (2) a change in temperature dependence of its relaxation strength on vitrification; (3) a separation in frequency from the α peak that correlates with the breadth of the α dispersion; and (4) sensitivity to volume, pressure, and physical aging. These properties can be used to determine whether a secondary relaxation in a real material is an authentic JG process, rather than more trivial motion involving intramolecular degrees of freedom. The latter has no connection to the glass transition, whereas the JG relaxation is closely related to structural relaxation, and thus can provide new insights into the phenomenon.

  20. Ultrafast Quantum Control and Quantum Processing in the Vibronic States of Molecules and Solids

    NASA Astrophysics Data System (ADS)

    Sussman, Benjamin; Bustard, Philip; England, Duncan; Lausten, Rune

    2014-05-01

    The unusual features of quantum mechanics are enabling the development of technologies not possible with classical physics, including applications in secure communications, quantum processing, and enhanced measurement. Efforts to build these devices utilize nonclassical states in numerous quantum systems, including cavity quantum electrodynamics, trap ions, nuclear spins, etc. as the basis for many prototypes. Here we investigate vibronic states in both molecules and bulk solids as distinct alternatives. We demonstrate a memory for light based on storing photons in the vibrations of hydrogen molecules and the optical phonons of diamond. Both classical and nonclassical photon states are used. These THz-bandwidth memories can be used to store femtosecond pulses for many operational time bins before the states decohere, making them viable for local photonic processing. We investigate decoherence and major sources of competing noise. While sustaining quantum coherence is critical for most quantum processing, rapid dephasing can also be used as a resource in these systems for rapid quantum random number generation, suitable for high-performance cryptography. NSERC

  1. Mechanical Properties of Solution-Processed Small-Molecule Semiconductor Films.

    PubMed

    Rodriquez, Daniel; Savagatrup, Suchol; Valle, Eduardo; Proctor, Christopher M; McDowell, Caitlin; Bazan, Guillermo C; Nguyen, Thuc-Quyen; Lipomi, Darren J

    2016-05-11

    Advantages of semiconducting small molecules-as opposed to semiconducting polymers-include synthetic simplicity, monodispersity, low cost, and ease of purification. One purported disadvantage of small-molecule films is reduced mechanical robustness. This paper measures the tensile modulus and crack-onset strain for pure films of the high-performance solution-processable small-molecule donors 7,7'-[4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl]bis[6-fluoro-4-(5'-hexyl-[2,2'-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole] (DTS(FBTTh2)2), 2,5-di(2-ethylhexyl)-3,6-bis(5″-n-hexyl-[2,2',5',2″]terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione (SMDPPEH), and 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene), the acceptor 5,5'-(2,1,3-benzothiadiazole-4,7-diyldi-2,1-ethenediyl)bis[2-hexyl-1H-isoindole-1,3(2H)-dione] (HPI-BT), blends of DTS(FBTTh2)2 and SMDPPEH with [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) and with HPI-BT, and bulk heterojunction films processed with the additives 1,8-diiodooctane (DIO) and polystyrene (PS). The most deformable films of solution-processed organic semiconductors are found to exhibit tensile moduli and crack-onset strains comparable to those measured for conjugated polymers. For example, the tensile modulus of as-cast DTS(FBTTh2)2 is 0.68 GPa (i.e., comparable to poly(3-hexylthiophene) (P3HT), the common polymer), while it exhibits no cracks when stretched on an elastomeric substrate to strains of 14%. While this high degree of stretchability is lost upon the addition of PC71BM (4.2 GPa, 1.42%), it can be partially recovered using processing additives. Tensile modulus and crack-onset strain are highly correlated, which is typical of van der Waals solids. Increased surface roughness was correlated to increased modulus and brittleness within films of similar composition. Decreased stiffness for soluble molecular semiconductors can be rationalized by the presence of alkyl side chains, which decrease the

  2. A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism.

    PubMed

    Kathman, Stefan G; Span, Ingrid; Smith, Aaron T; Xu, Ziyang; Zhan, Jennifer; Rosenzweig, Amy C; Statsyuk, Alexander V

    2015-10-07

    E3 ligases are genetically implicated in many human diseases, yet E3 enzyme mechanisms are not fully understood, and there is a strong need for pharmacological probes of E3s. We report the discovery that the HECT E3 Nedd4-1 is a processive enzyme and that disruption of its processivity by biochemical mutations or small molecules switches Nedd4-1 from a processive to a distributive mechanism of polyubiquitin chain synthesis. Furthermore, we discovered and structurally characterized the first covalent inhibitor of Nedd4-1, which switches Nedd4-1 from a processive to a distributive mechanism. To visualize the binding mode of the Nedd4-1 inhibitor, we used X-ray crystallography and solved the first structure of a Nedd4-1 family ligase bound to an inhibitor. Importantly, our study shows that processive Nedd4-1, but not the distributive Nedd4-1:inhibitor complex, is able to synthesize polyubiquitin chains on the substrate in the presence of the deubiquitinating enzyme USP8. Therefore, inhibition of E3 ligase processivity is a viable strategy to design E3 inhibitors. Our study provides fundamental insights into the HECT E3 mechanism and uncovers a novel class of HECT E3 inhibitors.

  3. Environmental restoration/waste management-applied technology semiannual report, January--June 1992. Volume 1, No. 1

    SciTech Connect

    Adamson, M.; Kline-Simon, K.

    1992-12-31

    This is the first issue from the Lawrence Livermore National Laboratory of The Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Semiannual Report, a continuation of the Advanced Processing Technology (APT) Semiannual Report. The name change reflects the consolidation of the APT Program with the Environmental Restoration and Waste Management Program to form the Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Program. The Livermore site mirrors, on a small scale, many of the environmental and waste management problems of the DOE Complex. The six articles in this issue cover incineration- alternative technologies, process development for waste minimization, the proposed Mixed Waste Management Facility, dynamic underground stripping, electrical resistance tomography, and Raman spectroscopy for remote characterization of underground tanks.

  4. Ambipolar Small-Molecule:Polymer Blend Semiconductors for Solution-Processable Organic Field-Effect Transistors.

    PubMed

    Kang, Minji; Hwang, Hansu; Park, Won-Tae; Khim, Dongyoon; Yeo, Jun-Seok; Kim, Yunseul; Kim, Yeon-Ju; Noh, Yong-Young; Kim, Dong-Yu

    2017-01-25

    We report on the fabrication of an organic thin-film semiconductor formed using a blend solution of soluble ambipolar small molecules and an insulating polymer binder that exhibits vertical phase separation and uniform film formation. The semiconductor thin films are produced in a single step from a mixture containing a small molecular semiconductor, namely, quinoidal biselenophene (QBS), and a binder polymer, namely, poly(2-vinylnaphthalene) (PVN). Organic field-effect transistors (OFETs) based on QBS/PVN blend semiconductor are then assembled using top-gate/bottom-contact device configuration, which achieve almost four times higher mobility than the neat QBS semiconductor. Depth profile via secondary ion mass spectrometry and atomic force microscopy images indicate that the QBS domains in the films made from the blend are evenly distributed with a smooth morphology at the bottom of the PVN layer. Bias stress test and variable-temperature measurements on QBS-based OFETs reveal that the QBS/PVN blend semiconductor remarkably reduces the number of trap sites at the gate dielectric/semiconductor interface and the activation energy in the transistor channel. This work provides a one-step solution processing technique, which makes use of soluble ambipolar small molecules to form a thin-film semiconductor for application in high-performance OFETs.

  5. Single Molecule Nanospectroscopy Visualizes Proton-Transfer Processes within a Zeolite Crystal

    PubMed Central

    2016-01-01

    Visualizing proton-transfer processes at the nanoscale is essential for understanding the reactivity of zeolite-based catalyst materials. In this work, the Brønsted-acid-catalyzed oligomerization of styrene derivatives was used for the first time as a single molecule probe reaction to study the reactivity of individual zeolite H-ZSM-5 crystals in different zeolite framework, reactant and solvent environments. This was accomplished via the formation of distinct dimeric and trimeric fluorescent carbocations, characterized by their different photostability, as detected by single molecule fluorescence microscopy. The oligomerization kinetics turned out to be very sensitive to the reaction conditions and the presence of the local structural defects in zeolite H-ZSM-5 crystals. The remarkably photostable trimeric carbocations were found to be formed predominantly near defect-rich crystalline regions. This spectroscopic marker offers clear prospects for nanoscale quality control of zeolite-based materials. Interestingly, replacing n-heptane with 1-butanol as a solvent led to a reactivity decrease of several orders and shorter survival times of fluorescent products due to the strong chemisorption of 1-butanol onto the Brønsted acid sites. A similar effect was achieved by changing the electrophilic character of the para-substituent of the styrene moiety. Based on the measured turnover rates we have established a quantitative, single turnover approach to evaluate substituent and solvent effects on the reactivity of individual zeolite H-ZSM-5 crystals. PMID:27709925

  6. Formation of ultracold polar ground state molecules via an optical process

    NASA Astrophysics Data System (ADS)

    Dulieu, Olivier; Borsalino, Dimitri; Orban, Andrea; Vexiau, Romain; Londono-Florez, Beatriz; Crubellier, Anne; Luc, Eliane; Bouloufa-Maafa, Nadia

    2015-05-01

    Based on spectroscopic studies available in the literature completed by accurate ab initio calculations for potentail energy curves, spin-orbit couplings, and transition dipole moments, we investigate several optical coherent schemes to create ultracold bosonic and fermionic ultracold polar molecules in their absolute rovibrational ground level, starting from a weakly bound level of their electronic ground state manifold. The processes rely on the existence of convenient electronically excited states allowing an efficient stimulated Raman adiabatic transfer (STIRAP) of the level population. Illustrations are given for KRb and KCs. A model for the hyperfine structure of the excited molecular states is also presented. Supported by Agence Nationale de la Recherche (ANR), project COPOMOL (# ANR-13-IS04-0004-01).

  7. Semiannual report to Congress, April 1--September 30, 1990

    SciTech Connect

    Not Available

    1990-01-01

    This issue of the Office of Inspector General's (OIG's) Semiannual Report to the Congress covers the period from April 1, 1990, to September 30, 1990. During that time, the Office issued 130 audit and inspection reports. The Semiannual Report is organized into five major sections. The first section contains brief overviews of the Department of Energy and the Office of Inspector General, as well as OIG views on current legislative matters. The second section describes the significant operational results of OIG audit, inspection, and investigative activity. The third, fourth, and fifth sections contain compilations of OIG statistical data.

  8. Solution-Processable Organic Molecule for High-Performance Organic Solar Cells with Low Acceptor Content.

    PubMed

    Wang, Kun; Guo, Bing; Xu, Zhuo; Guo, Xia; Zhang, Maojie; Li, Yongfang

    2015-11-11

    A new planar D2-A-D1-A-D2 structured organic molecule with bithienyl benzodithiophene (BDT) as central donor unit D1 and fluorine-substituted benzothiadiazole (BTF) as acceptor unit and alkyl-dithiophene as end group and donor unit D2, BDT-BTF, was designed and synthesized for the application as donor material in organic solar cells (OSCs). BDT-BTF shows a broad absorption in visible region, suitable highest occupied molecular orbital energy level of -5.20 eV, and high hole mobility of 1.07 × 10(-2) cm(2)/(V s), benefitted from its high coplanarity and strong crystallinity. The OSCs based on BDT-BTF as donor (D) and PC71BM as acceptor (A) at a D/A weight ratio of 3:1 without any extra treatment exhibit high photovoltaic performance with Voc of 0.85 V, Jsc of 10.48 mA/cm(2), FF of 0.66, and PCE of 5.88%. The morphological study by transmission electron microscopy reveals that the blend of BDT-BTF and PC71BM (3:1, w/w) possesses an appropriate interpenetrating D/A network for the exciton separation and charge carrier transport, which agrees well with the good device performance. The optimized D/A weight ratio of 3:1 is the lowest acceptor content in the active layer reported so far for the high-performance OSCs, and the organic molecules with the molecular structure like BDT-BTF could be promising high-performance donor materials in solution-processable OSCs.

  9. Electron-molecule chemistry and charging processes on organic ices and Titan's icy aerosol surrogates

    NASA Astrophysics Data System (ADS)

    Pirim, C.; Gann, R. D.; McLain, J. L.; Orlando, T. M.

    2015-09-01

    Electron-induced polymerization processes and charging events that can occur within Titan's atmosphere or on its surface were simulated using electron irradiation and dissociative electron attachment (DEA) studies of nitrogen-containing organic condensates. The DEA studies probe the desorption of H- from hydrogen cyanide (HCN), acetonitrile (CH3CN), and aminoacetonitrile (NH2CH2CN) ices, as well as from synthesized tholin materials condensed or deposited onto a graphite substrate maintained at low temperature (90-130 K). The peak cross sections for H- desorption during low-energy (3-15 eV) electron irradiation were measured and range from 3 × 10-21 to 2 × 10-18 cm2. Chemical and structural transformations of HCN ice upon 2 keV electron irradiation were investigated using X-ray photoelectron and Fourier-transform infrared spectroscopy techniques. The electron-beam processed materials displayed optical properties very similar to tholins produced by conventional discharge methods. Electron and negative ion trapping lead to 1011 charges cm-2 on a flat surface which, assuming a radius of 0.05 μm for Titan aerosols, is ∼628 charges/radius (in μm). The facile charge trapping indicates that electron interactions with nitriles and complex tholin-like molecules could affect the conductivity of Titan's atmosphere due to the formation of large negative ion complexes. These negatively charged complexes can also precipitate onto Titan's surface and possibly contribute to surface reactions and the formation of dunes.

  10. Angle-resolved 2D imaging of electron emission processes in atoms and molecules

    SciTech Connect

    Kukk, E.; Wills, A.A.; Langer, B.; Bozek, J.D.; Berrah, N.

    2004-09-02

    A variety of electron emission processes have been studied in detail for both atomic and molecular systems, using a highly efficient experimental system comprising two time-of-flight (TOF) rotatable electron energy analyzers and a 3rd generation synchrotron light source. Two examples are used here to illustrate the obtained results. Firstly, electron emissions in the HCL molecule have been mapped over a 14 eV wide photon energy range over the Cl 2p ionization threshold. Particular attention is paid to the dissociative core-excited states, for which the Auger electron emission shows photon energy dependent features. Also, the evolution of resonant Auger to the normal Auger decay distorted by post-collision interaction has been observed and the resonating behavior of the valence photoelectron lines studied. Secondly, an atomic system, neon, in which excitation of doubly excited states and their subsequent decay to various accessible ionic states has been studied. Since these processes only occurs via inter-electron correlations, the many body dynamics of an atom can be probed, revealing relativistic effects, surprising in such a light atom. Angular distribution of the decay of the resonances to the parity unfavored continuum exhibits significant deviation from the LS coupling predictions.

  11. Elementary processes in the scattering of NO molecules from a diamond surface

    SciTech Connect

    Matsuo, Y. ); Vach, H.; Chatelet, M. ); Haeger, J.; Roth, C. ); Flytzanis, C. ); Walther, H. )

    1990-09-15

    We report on the scattering of supersonic NO molecules from a diamond (111) surface. Using state selective laser techniques combined with mass selective quadrupole measurements, we observe two novel features in the molecule--surface interaction: first, a scattering behavior which is dependent on the direction of the incoming molecules; and second, surface residence times that are unusually long, but temperature independent. The former observation can be traced back to the topography of the unreconstructed diamond (111) surface, the latter one can be understood when a temporary function of a metastable surface--molecule complex is assumed.

  12. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  13. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 13 Business Credit and Assistance 1 2014-01-01 2014-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  14. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 13 Business Credit and Assistance 1 2011-01-01 2011-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  15. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 13 Business Credit and Assistance 1 2012-01-01 2012-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  16. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 13 Business Credit and Assistance 1 2013-01-01 2013-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  17. 22 CFR 712.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 2 2011-04-01 2009-04-01 true Semi-annual compilation. 712.600 Section 712.600 Foreign Relations OVERSEAS PRIVATE INVESTMENT CORPORATION ADMINISTRATIVE PROVISIONS NEW RESTRICTIONS ON... the Committee on Foreign Relations of the Senate and the Committee on Foreign Affairs of the House...

  18. 22 CFR 712.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Semi-annual compilation. 712.600 Section 712.600 Foreign Relations OVERSEAS PRIVATE INVESTMENT CORPORATION ADMINISTRATIVE PROVISIONS NEW RESTRICTIONS ON... the Committee on Foreign Relations of the Senate and the Committee on Foreign Affairs of the House...

  19. Semiannual Report: Oct 1, 2000 - Mar 31, 2001

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-01-001, May, 2001. Our new structure provides a solid foundation for the OIG's efforts to continuously improve its performance, and I am certain that it will greatly enhance our ability to be agents of positive change.

  20. Semiannual Report: Oct 1, 2008 - Mar 31, 2009

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-09-003, May, 2009. The next few years will be challenging ones as the OIG works with the EPA to ensure that Recovery Act and other funding is expended efficiently and effectively to safeguard human health and the environment.

  1. Semiannual Report: Oct 1, 1997 - Mar 31, 1998

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-98-001, May, 1998. As evidenced by the success of our efforts in these and other areas, the Office of Inspector General remains committed to assisting the Agency in the accomplishment of its environmental goals.

  2. Semiannual Report to Congress, October 1, 2002-March 31, 2003.

    ERIC Educational Resources Information Center

    Office of Inspector General (ED), Washington, DC.

    This semiannual report to Congress by the Office of Inspector General (OIG), U.S. Department of Education, covers the actions of the OIG from October 1, 2002, through March 31, 2003. The report discusses four goals of the President's Management Agenda: (1) improved financial performance: includes information on financial statement audits,…

  3. Semiannual Report: Apr 1, 2005 - Sept 30, 2005

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-05-003, Dec, 2005. We look forward to the challenges ahead as EPA and the Nation continue the effort to rebuild the Gulf States region and to safeguard our environment for us and for the generations that follow.

  4. Department of Health and Human Services Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ... [The Regulatory Plan and Unified Agenda of Federal Regulatory and Deregulatory Actions] Part VIII Department of Health and Human Services Semiannual Regulatory Agenda ] DEPARTMENT OF HEALTH AND HUMAN SERVICES (HHS) DEPARTMENT OF HEALTH AND HUMAN SERVICES Office of the Secretary 21 CFR Ch. I 42 CFR Chs. I-V 45 CFR Subtitle A; Subtitle B, Chs....

  5. Semiannual Report: Apr 1, 2010 - Sept 30, 2010

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-10-005, Nov, 2010. The OIG will do its best to help the Agency address the nation’s critical environmental challenges by ensuring that Agency funds are properly expended to safeguard human health and the environment.

  6. 78 FR 1604 - Department Regulatory Agenda; Semiannual Summary

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-08

    ...The Regulatory Agenda is a semiannual summary of all current and projected rulemakings, reviews of existing regulations, and completed actions of the Department. The Agenda provides the public with information about the Department of Transportation's regulatory activity. It is expected that this information will enable the public to be more aware of and allow it to more effectively participate......

  7. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Senate and the Clerk of the House of Representatives a report containing a compilation of the information... 30 days after receipt of the report by the Secretary and the Clerk. (c) Information that involves... information shall not be available for public inspection. (e) The first semi-annual compilation shall...

  8. 38 CFR 45.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... (CONTINUED) NEW RESTRICTIONS ON LOBBYING Agency Reports § 45.600 Semi-annual compilation. (a) The head of... Representatives a report containing a compilation of the information contained in the disclosure reports received... report by the Secretary and the Clerk. (c) Information that involves intelligence matters shall...

  9. 40 CFR 34.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... NEW RESTRICTIONS ON LOBBYING Agency Reports § 34.600 Semi-annual compilation. (a) The head of each... report containing a compilation of the information contained in the disclosure reports received during... the Secretary and the Clerk. (c) Information that involves intelligence matters shall be reported...

  10. 12 CFR 411.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Reports § 411.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the... information contained in the disclosure reports received during the six-month period ending on March 31 or... public inspection 30 days after receipt of the report by the Secretary and the Clerk. (c)...

  11. 22 CFR 138.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Senate and the Clerk of the House of Representatives a report containing a compilation of the information... 30 days after receipt of the report by the Secretary and the Clerk. (c) Information that involves... information shall not be available for public inspection. (e) The first semi-annual compilation shall...

  12. 32 CFR 28.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... REGULATIONS NEW RESTRICTIONS ON LOBBYING Agency Reports § 28.600 Semi-annual compilation. (a) The head of each... report containing a compilation of the information contained in the disclosure reports received during... the Secretary and the Clerk. (c) Information that involves intelligence matters shall be reported...

  13. 45 CFR 93.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... LOBBYING Agency Reports § 93.600 Semi-annual compilation. (a) The head of each agency shall collect and... compilation of the information contained in the disclosure reports received during the six-month period ending... Clerk. (c) Information that involves intelligence matters shall be reported only to the Select...

  14. 15 CFR 28.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Agency Reports § 28.600 Semi-annual compilation. (a) The head of each agency shall collect and compile... the information contained in the disclosure reports received during the six-month period ending on.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  15. 77 FR 7980 - Department Regulatory Agenda; Semiannual Summary

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-13

    ...The Regulatory Agenda is a semiannual summary of all current and projected rulemakings, reviews of existing regulations, and completed actions of the Department. The Agenda provides the public with information about the Department of Transportation's regulatory activity. It is expected that this information will enable the public to be more aware of and allow it to more effectively participate......

  16. Semiannual Report: Apr 1, 2011 - Sept 30, 2011

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-11-036, Nov, 2011. We have made great progress and I look forward to fulfilling the new Office of Inspector General vision of being the best in public service and oversight for a better environment tomorrow.

  17. Semiannual Report: Apr 1, 1998 - Sept 30, 1998

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-98-004, Nov, 1998. We look forward to working with the Administrator, Agency managers, Congress, and EPA's various stakeholders to help ensure that EPA delivers the maximum in environmental and health benefits to the public.

  18. 45 CFR 604.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 3 2011-10-01 2011-10-01 false Semi-annual compilation. 604.600 Section 604.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION NEW..., shall be available for public inspection 30 days after receipt of the report by the Secretary and...

  19. 45 CFR 604.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 3 2014-10-01 2014-10-01 false Semi-annual compilation. 604.600 Section 604.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION NEW..., shall be available for public inspection 30 days after receipt of the report by the Secretary and...

  20. Semiannual Report to Congress, October 1, 2009 - March 31, 2010

    DTIC Science & Technology

    2010-03-31

    Included among these are asset accountability, the Guam realignment, health care, Recovery Act projects, product substitution, and acquisitions and...Semiannual Report to the Congress October 1, 2009 to March 31, 2010 Inspector General Act of 1978, as amended Title 5, U.S. Code, Appendix 2 Purpose...General Act of 1978, as

  1. Semi-annual Sq-variation in solar activity cycle

    NASA Astrophysics Data System (ADS)

    Pogrebnoy, V.; Malosiev, T.

    The peculiarities of semi-annual variation in solar activity cycle have been studied. The data from observatories having long observational series and located in different latitude zones were used. The following observatories were selected: Huancayo (magnetic equator), from 1922 to 1959; Apia (low latitudes), from 1912 to 1961; Moscow (middle latitudes), from 1947 to 1965. Based on the hourly values of H-components, the average monthly diurnal amplitudes (a difference between midday and midnight values), according to five international quiet days, were computed. Obtained results were compared with R (relative sunspot numbers) in the ranges of 0-30R, 40-100R, and 140-190R. It was shown, that the amplitude of semi-annual variation increases with R, from minimum to maximum values, on average by 45%. At equatorial Huancayo observatory, the semi-annual Sq(H)-variation appears especially clearly: its maximums take place at periods of equinoxes (March-April, September-October), and minimums -- at periods of solstices (June-July, December-January). At low (Apia observatory) and middle (Moscow observatory) latitudes, the character of semi-annual variation is somewhat different: it appears during the periods of equinoxes, but considerably less than at equator. Besides, with the growth of R, semi-annual variation appears against a background of annual variation, in the form of second peaks (maximum in June). At observatories located in low and middle latitudes, second peaks become more appreciable with an increase of R (March-April and September-October). During the periods of low solar activity, they are insignificant. This work has been carried out with the support from International Scientific and Technology Center (Project #KR-214).

  2. Efficient solution-processed small molecule: Cadmium selenide quantum dot bulk heterojunction solar cells

    SciTech Connect

    Gupta, Vinay; Upreti, Tanvi; Chand, Suresh

    2013-12-16

    We report bulk heterojunction solar cells based on blends of solution-processed small molecule [7,7′-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b′]dithiophene-2,6-diyl) bis(6-fluoro-4-(5′-hexyl-[2,2′-bithiophen]-5yl)benzo[c] [1,2,5] thiadiazole)] p-DTS(FBTTh{sub 2}){sub 2}: Cadmium Selenide (CdSe) (70:30, 60:40, 50:50, and 40:60) in the device configuration: Indium Tin Oxide /poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)/p-DTS(FBTTh{sub 2}){sub 2}: CdSe/Ca/Al. The optimized ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe::60:40 leads to a short circuit current density (J{sub sc}) = 5.45 mA/cm{sup 2}, open circuit voltage (V{sub oc}) = 0.727 V, and fill factor (FF) = 51%, and a power conversion efficiency = 2.02% at 100 mW/cm{sup 2} under AM1.5G illumination. The J{sub sc} and FF are sensitive to the ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe, which is a crucial factor for the device performance.

  3. Roll-to-Roll Solution-Processible Small-Molecule OLEDs

    SciTech Connect

    Liu, Jie Jerry

    2012-07-31

    The objective of this program is to develop key knowledge and make critical connections between technologies needed to enable low-cost manufacturing of OLED lighting products. In particular, the program was intended to demonstrate the feasibility of making high performance Small-Molecule OLEDs (SM-OLED) using a roll-to-roll (R2R) wet-coating technique by addressing the following technical risks (1) Whether the wet-coating technique can provide high performance OLEDs, (2) Whether SM-OLED can be made in a R2R manner, (3) What are the requirements for coating equipment, and (4) Whether R2R OLEDs can have the same performance as the lab controls. The program has been managed and executed according to the Program Management Plan (PMP) that was first developed at the beginning of the program and further revised accordingly as the program progressed. Significant progress and risk reductions have been accomplished by the end of the program. Specific achievements include: (1) Demonstrated that wet-coating can provide OLEDs with high LPW and long lifetime; (2) Demonstrated R2R OLEDs can be as efficient as batch controls (Figure 1) (3) Developed & validated basic designs for key equipment necessary for R2R SM-OLEDs; (4) Developed know-hows & specifications on materials & ink formulations critical to wetcoating; (5) Developed key R2R processes for each OLED layer (6) Identified key materials and components such as flexible barrier substrates necessary for R2R OLEDs.

  4. Electron and ion-molecule collisional data for the science of plasma processing

    SciTech Connect

    Garscadden, A.; Nagpal, R.; Haaland, P.D.; Clark, J.

    1995-12-31

    Plasma processing of materials has emerged as the enabling technology for many industrial applications ranging from the fabrication of microelectronic circuits to coatings for advanced combustion engines. After impressive, mainly empirical successes, further developments now require more precise control and understanding of the mechanisms for selective deposition, etching, or reaction. The electron temperature of a non-equilibrium plasma can easily be 20,000 K while the gas temperature is less than 500 K. The reactivity of the plasma-excited gases is often enhanced by many orders of magnitude. Electron and ion collisions, especially those causing dissociation of the initial gases, and reactions of the resulting radicals with gases and at surfaces are crucial. Extant collisional data and methods are reviewed in the context of emerging technological requirements. Examples are presented for (1) crossed-beam and swarm studies of electron-molecule collisions; (2) Fourier Transform Mass spectrometry probes of dissociative ionization, attachment, and charge-transfer collisions, and (3) Surface Desorption Spectroscopy examinations of surface reactions.

  5. Structure-Processing Relationships in Solution Processable Polymer Thin Film Transistors and Small Molecule Bulk Heterojunction Solar Cells

    NASA Astrophysics Data System (ADS)

    Perez, Louis A.

    A regio-regular (RR) conjugated copolymer based on cyclopenta[2,1-b:3,4- b]dithiophene (CDT) and pyridal[2,1,3]thiadiazole (PT) structural units was prepared by using polymerization reactions involving reactants specifically designed to avoid random orientation of the asymmetric PT heterocycle. Compared to its regio-irregular (RI) counterpart, the RR polymer exhibits a two orders of magnitude increase in hole mobility from 0.005 to 0.6 cm2V -1s-1. To probe the reason for this difference in mobility, we examined the crystalline structure and its orientation in thin films of both copolymers as a function of depth via grazing incidence wide angle X-ray scattering (GIWAXS). In the RI film, the pi-pi stacking direction of the crystallites is mainly perpendicular to the substrate normal (edge-on orientation) while in the RR film the crystallites adopt a mixed pi-pi stacking orientation in the center of the film as well as near the interface between the polymer and the dielectric layer. These results demonstrate that control of backbone regularity is another important design criterion to consider in the synthesis and optimization of new conjugated copolymers with asymmetric structural units. Solution processed organic photovoltaic devices (OPVs) have emerged as a promising sustainable energy technology due to their ease of fabrication, potential to enable low-cost manufacturing, and ability to be incorporated onto light-weight flexible substrates. To date, the most efficacious OPV device architecture, the bulk heterojunction (BHJ), consists of a blend of a light-harvesting conjugated organic electron donating molecule and a strong electron-accepting compound (usually a soluble fullerene derivative e.g. [6,6]-phenyl C71 butyric acid methyl ester (PC71BM). BHJ layer morphology, which has been shown to be highly dependent on processing, has a significant effect on OPV performance. It is postulated that optimal BHJ morphologies consist of discrete bicontinuous nanoscale

  6. Ultrahigh-efficiency solution-processed simplified small-molecule organic light-emitting diodes using universal host materials

    PubMed Central

    Han, Tae-Hee; Choi, Mi-Ri; Jeon, Chan-Woo; Kim, Yun-Hi; Kwon, Soon-Ki; Lee, Tae-Woo

    2016-01-01

    Although solution processing of small-molecule organic light-emitting diodes (OLEDs) has been considered as a promising alternative to standard vacuum deposition requiring high material and processing cost, the devices have suffered from low luminous efficiency and difficulty of multilayer solution processing. Therefore, high efficiency should be achieved in simple-structured small-molecule OLEDs fabricated using a solution process. We report very efficient solution-processed simple-structured small-molecule OLEDs that use novel universal electron-transporting host materials based on tetraphenylsilane with pyridine moieties. These materials have wide band gaps, high triplet energy levels, and good solution processabilities; they provide balanced charge transport in a mixed-host emitting layer. Orange-red (~97.5 cd/A, ~35.5% photons per electron), green (~101.5 cd/A, ~29.0% photons per electron), and white (~74.2 cd/A, ~28.5% photons per electron) phosphorescent OLEDs exhibited the highest recorded electroluminescent efficiencies of solution-processed OLEDs reported to date. We also demonstrate a solution-processed flexible solid-state lighting device as a potential application of our devices. PMID:27819053

  7. Investigation of the atomic emission spectroscopy of F atoms and CF2 molecules in CF4 plasma processing

    NASA Astrophysics Data System (ADS)

    Jin, Huiliang; Li, Jie; Tang, Caixue; Deng, Wenhui; Chen, Xianhua

    2016-10-01

    The surface chemistry reaction involved in the processing of Atmospheric Pressure Plasma Jet (APPJ) produced from CF4 precursor has been explored. The atomic emission spectroscopy of F atoms and CF2 molecules was investigated as they contribute to substrate etching and FC film formation during APPJ processing. Optical emission spectroscopy (OES) spectra were acquired for CF4 plasma, relative concentrations of excited state species of F atoms and CF2 molecules were also dependent upon plasma parameters. The densities of F atoms increased dramatically with increasing applied RF power, whereas CF2 molecules decreased monotonically over the same power range, the subsequent electron impacted decomposition of plasma species after CF4 precursor fragmentation. The spectrum of the F atoms and CF2 molecules fallowed the same tendency with the increasing concentration of gas CF4, reaching the maximum at the 20sccm and 15sccm respectively, and then the emission intensity of reactive atoms decreased with more CF4 molecules participating. Addition certain amount O2 into CF4 plasma resulted in promoting CF4 dissociation, O2 can easily react with the dissociation product of CF2 molecules, which inhibit the compound of the F atoms, so with the increasing concentration of O2, the concentration of the CF2 molecules decreased and the emission intensities of F atoms showed the maximum at the O2/CF4 ratio of 20%. These results have led to the development of a scheme that illustrates the mechanisms of surface chemistry reaction and the affection of plasma parameters in CF4 plasma systems with respect to F and CF2 gas-phase species.

  8. Isotope separation and advanced manufacturing technology. Volume 2, No. 2, Semiannual report, April--September 1993

    SciTech Connect

    Kan, Tehmanu; Carpenter, J.

    1993-12-31

    This is the second issue of a semiannual report for the Isotope Separation and Advanced Manufacturing (ISAM) Technology Program at Lawrence Livermore National Laboratory. Primary objectives of the ISAM Program include: the Uranium Atomic Vapor Laser Isotope Separation (U-AVLIS) process, and advanced manufacturing technologies which include industrial laser materials processing and new manufacturing technologies for uranium, plutonium, and other strategically important materials in support of DOE and other national applications. Topics included in this issue are: production plant product system conceptual design, development and operation of a solid-state switch for thyratron replacement, high-performance optical components for high average power laser systems, use of diode laser absorption spectroscopy for control of uranium vaporization rates, a two-dimensional time dependent hydrodynamical ion extraction model, and design of a formaldehyde photodissociation process for carbon and oxygen isotope separation.

  9. Effects of the surroundings and conformerisation of n-dodecane molecules on evaporation/condensation processes.

    PubMed

    Gun'ko, Vladimir M; Nasiri, Rasoul; Sazhin, Sergei S

    2015-01-21

    The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy of solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/Tc < 0.8) or slightly larger (at T/Tc > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.

  10. Effects of the surroundings and conformerisation of n-dodecane molecules on evaporation/condensation processes

    SciTech Connect

    Gun’ko, Vladimir M.; Nasiri, Rasoul; Sazhin, Sergei S.

    2015-01-21

    The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy of solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/T{sub c} < 0.8) or slightly larger (at T/T{sub c} > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.

  11. Understanding the charge-transfer state and singlet exciton emission from solution-processed small-molecule organic solar cells.

    PubMed

    Ran, Niva A; Kuik, Martijn; Love, John A; Proctor, Christopher M; Nagao, Ikuhiro; Bazan, Guillermo C; Nguyen, Thuc-Quyen

    2014-11-19

    Electroluminescence (EL) from the charge-transfer state and singlet excitons is observed at low applied voltages from high-performing small-molecule bulk-heterojunction solar cells. Singlet emission from the blends emerges upon altering the processing conditions, such as thermal annealing and processing with a solvent additive, and correlates with improved photovoltaic performance. Low-temperature EL measurements are utilized to access the physics behind the singlet emission.

  12. A small molecule enhances RNA interference and promotes microRNA processing

    PubMed Central

    Shan, Ge; Li, Yujing; Zhang, Junliang; Li, Wendi; Szulwach, Keith E; Duan, Ranhui; Faghihi, Mohammad A; Khalil, Ahmad M; Lu, Lianghua; Paroo, Zain; Chan, Anthony W S; Shi, Zhangjie; Liu, Qinghua; Wahlestedt, Claes; He, Chuan; Jin, Peng

    2010-01-01

    Small interfering RNAs (siRNAs) and microRNAs (miRNAs) are sequence-specific post-transcriptional regulators of gene expression. Although major components of the RNA interference (RNAi) pathway have been identified, regulatory mechanisms for this pathway remain largely unknown. Here we demonstrate that the RNAi pathway can be modulated intracellularly by small molecules. We have developed a cell-based assay to monitor the activity of the RNAi pathway and find that the small-molecule enoxacin (Penetrex) enhances siRNA-mediated mRNA degradation and promotes the biogenesis of endogenous miRNAs. We show that this RNAi-enhancing activity depends on the trans-activation-responsive region RNA-binding protein. Our results provide a proof-of-principle demonstration that small molecules can be used to modulate the activity of the RNAi pathway. RNAi enhancers may be useful in the development of research tools and therapeutics. PMID:18641635

  13. Toward quantum processing in molecules: a THz-bandwidth coherent memory for light.

    PubMed

    Bustard, Philip J; Lausten, Rune; England, Duncan G; Sussman, Benjamin J

    2013-08-23

    The unusual features of quantum mechanics are enabling the development of technologies not possible with classical physics. These devices utilize nonclassical phenomena in the states of atoms, ions, and solid-state media as the basis for many prototypes. Here we investigate molecular states as a distinct alternative. We demonstrate a memory for light based on storing photons in the vibrations of hydrogen molecules. The THz-bandwidth molecular memory is used to store 100-fs pulses for durations up to ~1 ns, enabling ~10(4) operational time bins. The results demonstrate the promise of molecules for constructing compact ultrafast quantum photonic technologies.

  14. Model of the photoexcitation processes of a two-level molecule coherently coupled to an optical antenna.

    PubMed

    Nakatani, Masatoshi; Nobuhiro, Atsushi; Yokoshi, Nobuhiko; Ishihara, Hajime

    2013-06-07

    We theoretically investigate photoexcitation processes of a two-level molecular system coherently coupled with an antenna system having a significant dissipation. The auxiliary antenna enables the whole system to exhibit anomalous optical effects by controlling the coupling with the molecule. For example, in the weak excitation regime, the quantum interference yields a distinctive energy transparency through the antenna, which drastically reduces the energy dissipation. On the other hand, in the strong excitation regime, a population inversion of the two-level molecule appears due to the nonlinear effect. Both phenomena can be explained by regarding the antenna and molecule as one quantum-mechanically coupled system. Such an approach drives further research to exploit the full potential of the coupled systems.

  15. Dithienobenzodithiophene-Based Small Molecule Organic Solar Cells with over 7% Efficiency via Additive- and Thermal-Annealing-Free Processing.

    PubMed

    Song, Hyeng Gun; Kim, Yu Jin; Lee, Ji Sang; Kim, Yun-Hi; Park, Chan Eon; Kwon, Soon-Ki

    2016-12-21

    Here we introduce a novel small molecule based on dithienobenzodithiophene and rhodanine, DTBDT-Rho, developed to study the effect of the rhodanine substitutuent on small molecule bulk heterojunction (BHJ) solar cells. DTBDT-Rho possesses distinct crystalline characteristics, sufficient solubility in chlorinated solvents, and broad absorption properties. Therefore, solution-processed BHJ photovoltaic cells made with DTBDT-Rho:PC71BM blends showed an extremely high power conversion efficiency (PCE; 7.10%); notably, this PCE value was obtained without the use of additives or thermal treatments. To our knowledge, the PCE over 7% is a significantly powerful value among rhodanine-based small molecule BHJ solar cells without additives or thermal treatments.

  16. All-optical signal processing at 10 GHz using a photonic crystal molecule

    SciTech Connect

    Combrié, Sylvain; Lehoucq, Gaëlle; Junay, Alexandra; De Rossi, Alfredo; Malaguti, Stefania; Bellanca, Gaetano; Trillo, Stefano; Ménager, Loic; Peter Reithmaier, Johann

    2013-11-04

    We report on 10 GHz operation of an all-optical gate based on an Indium Phosphide Photonic Crystal Molecule. Wavelength conversion and all-optical mixing of microwave signals are demonstrated using the 2 mW output of a mode locked diode laser. The spectral separation of the optical pump and signal is crucial in suppressing optical cross-talk.

  17. Vibrational relaxation in H/sub 2/ molecules by wall collisions: applications to negative ion source processes

    SciTech Connect

    Karo, A.M.; Hiskes, J.R.; Hardy, R.J.

    1984-10-01

    In the volume of a hydrogen discharge, H/sub 2/ molecules, excited to high vibrational levels (v'' > 6), are formed either by fast-electron collisions or from H/sub 2//sup +/ ions that are accelerated across the discharge-wall potential that undergo Auger neutralization prior to impact with the discharge chamber wall. We have used computer molecular dynamics to study the de-excitation and re-excitation of vibrationally-excited H/sub 2/ molecules undergoing repeated wall collisions. The initial translational energies range from thermal to 100 eV and the initial vibrational states range from v'' = 2 to v'' = 12. The average loss or gain of vibrational, rotational, translational, and total molecular energies and the survival rates of the molecules have been evaluated. At thermal energies vibrational de-excitation is the predominant process, and a consistent picture emerges of rapid energy redistribution into all the molecular degrees of freedom and a slower rate of loss of total molecular energy to the wall. At higher translational energies (1 to 100 eV) a substantial fraction of the molecules survive with large (v'' > 6) vibrational energy. This vibrational population provides a contribution to the total excited vibrational population comparable to that from the fast-electron collision process.

  18. Treatment of coal-conversion wastewater with the powdered activated carbon-contact stabilization activated-sludge process. First semiannual technical progress report, August 1, 1980-January 31, 1981

    SciTech Connect

    Suidan, M.T.; Pirbazari, M.; Gee, C.S.; Deady, M.A.

    1981-01-01

    The treatment of coal conversion wastewaters has traditionally been accomplished through the use of the activated sludge process and its various modifications. General observations have been that phenol was degraded efficiently; however, very poor removal efficiencies of thiocyanate, cyanide, and ammonia were obtained. The addition of powdered activated carbon (PAC) to the activated sludge process has been reported to result in a number of distinct advantages. Generally, however, improving the effluent water quality beyond the capabilities of conventional biological treatment and enhancing the treatability of wastewaters that inhibit or toxify biological treatment systems are the primary objectives of utilizing PAC in secondary biological treatment. The focus of the present research project is to assess the effectiveness of the powdered activated carbon-contact stabilization activated sludge process in the treatment of a coking wastewater. The purpose of the contact tank in such a process will be to provide sufficient time for the adsorbable constituents of the coking wastewater to adsorb onto the PAC. The liquor leaving the contact tank is then clarified with the concentratrated underflow receiving treatment in the stabilization tank. After stabilization the sludge is returned to the contact tank. The clarifier supernatant is then nitrified in an activated sludge-type nitrification process and the nitrified effluent is subsequently denitrified in an anoxic filter.

  19. 40 CFR 60.1895 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 6 2011-07-01 2011-07-01 false If a semiannual report is required, when must I submit it? 60.1895 Section 60.1895 Protection of Environment ENVIRONMENTAL PROTECTION..., 1999 Model Rule-Reporting § 60.1895 If a semiannual report is required, when must I submit it? (a)...

  20. 40 CFR 62.15350 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 9 2013-07-01 2013-07-01 false If a semiannual report is required, when must I submit it? 62.15350 Section 62.15350 Protection of Environment ENVIRONMENTAL PROTECTION... it? (a) For data collected during the first half of a calendar year, submit your semiannual report...

  1. 40 CFR 60.1420 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 6 2011-07-01 2011-07-01 false If a semiannual report is required, when must I submit it? 60.1420 Section 60.1420 Protection of Environment ENVIRONMENTAL PROTECTION... § 60.1420 If a semiannual report is required, when must I submit it? (a) For data collected during...

  2. 78 FR 1618 - Semiannual Agenda and Fiscal Year 2013 Regulatory Plan

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-08

    ... January 8, 2013 Part XIII Department of the Treasury Semiannual Regulatory Agenda #0;#0;Federal Register / Vol. 78 , No. 5 / Tuesday, January 8, 2013 / Unified Agenda#0;#0; ] DEPARTMENT OF THE TREASURY 31 CFR Subtitles A and B Semiannual Agenda and Fiscal Year 2013 Regulatory Plan AGENCY: Department of the...

  3. 77 FR 8034 - Semiannual Regulatory Agenda and Fiscal Year 2011 Regulatory Plan

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-13

    ... February 13, 2012 Part XXI Bureau of Consumer Financial Protection Semiannual Regulatory Agenda #0;#0;Federal Register / Vol. 77 , No. 29 / Monday, February 13, 2012 / Unified Agenda#0;#0; ] BUREAU OF CONSUMER FINANCIAL PROTECTION 12 CFR Ch. X Semiannual Regulatory Agenda and Fiscal Year 2011...

  4. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 31 Money and Finance: Treasury 2 2014-07-01 2014-07-01 false Composite Semiannual Rate Period Table B Appendix B to Part 359 Money and Finance: Treasury Regulations Relating to Money and Finance... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table...

  5. Influence of the water molecules near surface of viral protein on virus activation process

    NASA Astrophysics Data System (ADS)

    Shepelenko, S. O.; Salnikov, A. S.; Rak, S. V.; Goncharova, E. P.; Ryzhikov, A. B.

    2009-06-01

    The infection of a cell with influenza virus comprises the stages of receptor binding to the cell membrane, endocytosis of virus particle, and fusion of the virus envelope and cell endosome membrane, which is determined by the conformational changes in hemagglutinin, a virus envelope protein, caused by pH decrease within the endosome. The pH value that induces conformation rearrangements of hemagglutinin molecule considerably varies for different influenza virus strains, first and foremost, due to the differences in amino acid structure of the corresponding proteins. The main goal of this study was to construct a model making it possible to assess the critical pH value characterizing the fusogenic activity of influenza virus hemagglutinin from the data on hemagglutinin structure and experimental verification of this model. Under this model, we assume that when the electrostatic force between interacting hemagglutinin molecules in the virus envelop exceeds a certain value, the hemagglutinin HA1 subunits are arranged so that they form a cavity sufficient for penetration of water molecules. This event leads to an irreversible hydration of the inner fragments of hemagglutinin molecule in a trimer and to the completion of conformational changes. The geometry of electrostatic field in hemagglutinin trimer was calculated taking into account the polarization effects near the interface of two dielectrics, aqueous medium and protein macromolecule. The critical pH values for the conformational changes in hemagglutinin were measured by the erythrocyte hemolysis induced by influenza virus particles when decreasing pH. The critical pH value conditionally separating the pH range into the regions with and without the conformational changes was calculated for several influenza virus H1N1 and H3N2 strains based on the data on the amino acid structure of the corresponding hemagglutinin molecules. Comparison of the theoretical and experimental values of critical pH values for

  6. Low-energy electron scattering by N2 molecules physisorbed on Ag: Study of the resonant vibrational excitation process

    NASA Astrophysics Data System (ADS)

    Djamo, V.; Teillet-Billy, D.; Gauyacq, J. P.

    1995-02-01

    Molecules adsorbed on a metal surface can be excited by low-energy electron impact. Resonant processes in which an intermediate negative ion is formed during the collision are very efficient. The resonant vibrational excitation of N2 molecules physisorbed on Ag by low-energy electrons is studied theoretically with the coupled-angular-mode method. The influence of the neighboring surface on the excitation process (including the excitation of overtones) is analyzed. The results are compared with the experimental results of Demuth, Schmeisser, and Avouris. It is found that in a scattering experiment, most of the vibrational excitation concerns electrons that are inelastically scattered into the metal and are thus not observed experimentally.

  7. Federal Energy Resources Modernization Coordinating Committee. Semiannual Report, October 1, 1991 Through March 31, 1992

    SciTech Connect

    Parker, G B

    1992-07-01

    This report summarizes the broad range of activities supported by Federal Energy Management Program (FEMP) and other federal agencies focused on meeting the President`s Executive Order on Federal Energy Management promulgated to meet energy savings goals and encourage more efficient management of all federal energy resources. These activities are reported semiannually under the auspices of the FERM Coordinating Committee, and as such include activities undertaken from October 1, 1991, through March 31, 1992. The activities reported are classified into four major categories: (1) technology-base support, which includes development of processes, software, metering and monitoring equipment and strategies, and other tools for the federal energy manager to better understand and characterize their energy resources; (2) federal energy systems testing and monitoring; (3) federal energy systems modernization projects at federal installations in cooperation with the utilities serving the sites; and (4) energy supply, distribution and end-use conservation assessment for federal agencies and/or facilities.

  8. Non-basic high-performance molecules for solution-processed organic solar cells.

    PubMed

    van der Poll, Thomas S; Love, John A; Nguyen, Thuc-Quyen; Bazan, Guillermo C

    2012-07-17

    A new small molecule, p-DTS(FBTTh(2))(2), is designed for incorporation into solution-fabricated high-efficiency organic solar cells. Of primary importance is the incorporation of electron poor heterocycles that are not prone to protonation and thereby enable the incorporation of commonly used interlayers between the organic semiconductor and the charge collecting electrodes. These features have led to the creation of p-DTS(FBTTh(2))(2)/PC(71)BM solar cells with power conversion efficiencies of up to 7%.

  9. Polarized optical waveguide spectroscopy: Effective tool to analyze adsorption process of dye molecules

    NASA Astrophysics Data System (ADS)

    Ohno, Hiroyuki; Taniguchi, Keisuke; Fujita, Kyoko

    2009-05-01

    Real time changes of the molecular orientational state are readily analyzed with polarized optical waveguide (POW) spectroscopy. Assembly or orientation of over 20 different dye molecules in solution have been analyzed during air-drying. The dynamic behavior of dyes including both orientational direction and degree of aggregation has been discussed with the key group structures of dyes. We suggest that certain interaction between dimethylimino residue of dyes and silanol residue of the waveguide surface should be responsible for these orientational changes. Furthermore, greater aggregation of these dyes tended to give rise to perpendicular orientation on the waveguide surface.

  10. Comment on "Gamma-ray spectra from low-energy positron annihilation processes in molecules"

    NASA Astrophysics Data System (ADS)

    Green, D. G.; Gribakin, G. F.

    2017-03-01

    In the article by Ma et al. [Phys. Rev. A 94, 052709 (2016), 10.1103/PhysRevA.94.052709], γ -ray spectra for positron annihilation on molecules were calculated in the independent-particle approximation with the positron wave function set to unity. Based on comparisons with experimental data, they concluded that inner valence electrons play a dominant role in positron annihilation. These conclusions are incorrect and resulted from fallacious analysis that ignored the known effect of the positron wave function on the spectra.

  11. Chemogenomics and parasitology: small molecules and cell-based assays to study infectious processes.

    PubMed

    Muskavitch, Marc A T; Barteneva, Natasha; Gubbels, Marc-Jan

    2008-09-01

    Infectious diseases caused by protozoan parasites--malaria, sleeping sickness, leishmaniasis, Chagas' disease, toxoplasmosis--remain chronic problems for humanity. We lack vaccines and have limited drug options effective against protozoa. Research into anti-protozoan drugs has accelerated with improved in vitro cultivation methods, enhanced genetic accessibility, completed genome sequences for key protozoa, and increased prominence of protozoan diseases on the agendas of well-resourced public figures and foundations. Concurrent advances in high-throughput screening (HTS) technologies and availability of diverse small molecule libraries offer the promise of accelerated discovery of new drug targets and new drugs that will reduce disease burdens imposed on humanity by parasitic protozoa. We provide a status report on HTS technologies in hand and cell-based assays under development for biological investigations and drug discovery directed toward the three best-characterized parasitic protozoa: Trypanosoma brucei, Plasmodium falciparum, and Toxoplasma gondii. We emphasize cell growth assays and new insights into parasite cell biology speeding development of better cell-based assays, useful in primary screens for anti-protozoan drug leads and secondary screens to decipher mechanisms of action of leads identified in growth assays. Small molecules that interfere with specific aspects of protozoan biology, identified in such screens, will be valuable tools for dissecting parasite cell biology and developing anti-protozoan drugs. We discuss potential impacts on drug development of new consortia among academic, corporate, and public partners committed to discovery of new, effective anti-protozoan drugs.

  12. Impact of the electron-transport layer on the performance of solution-processed small-molecule organic solar cells.

    PubMed

    Long, Guankui; Wan, Xiangjian; Kan, Bin; Hu, Zhicheng; Yang, Xuan; Zhang, Yi; Zhang, Mingtao; Wu, Hongbing; Huang, Fei; Su, Shijian; Cao, Yong; Chen, Yongsheng

    2014-08-01

    Although the performance of polymer solar cells has been improved significantly recently through careful optimization with different interlayers for the same materials, more improvement is needed in this respect for small-molecule-based solar cells, particularly for the electron-transport layers (ETLs). In this work, three different solution-processed ETLs, PFN, ZnO nanoparticles, and LiF, were investigated and compared in the performance of small-molecule-based devices, and power conversion efficiencies (PCEs) of 8.32, 7.30, and 7.38% were achieved, respectively. The mechanism for the ETL-induced enhancement has been studied, and different ETLs have a significantly different impact on the device performance. The clearly improved performance of PFN is attributed to the combination of reduced bimolecular recombination and increased effective photon absorption in the active layer.

  13. Biomarker Sensors and Method for Multi-Color Imaging and Processing of Single-Molecule Life Signatures

    NASA Technical Reports Server (NTRS)

    Wade, Lawrence A. (Inventor); Collier, Charles Patrick (Inventor)

    2013-01-01

    The invention is a device including array of active regions for use in reacting one or more species in at least two of the active regions in a sequential process, e.g., sequential reactions. The device has a transparent substrate member, which has a surface region and a silane material overlying the surface region. A first active region overlies a first portion of the silane material. The first region has a first dimension of less than 1 micron in size and has first molecules capable of binding to the first portion of the silane material. A second active region overlies a second portion of the silane material. The second region has a second dimension of less than 1 micron in size, second molecules capable of binding to the second portion of the active region, and a spatial distance separates the first active region and the second active region.

  14. Solution-processed and high-performance organic solar cells using small molecules with a benzodithiophene unit.

    PubMed

    Zhou, Jiaoyan; Zuo, Yi; Wan, Xiangjian; Long, Guankui; Zhang, Qian; Ni, Wang; Liu, Yongsheng; Li, Zhi; He, Guangrui; Li, Chenxi; Kan, Bin; Li, Miaomiao; Chen, Yongsheng

    2013-06-12

    Three small molecules named DR3TBDTT, DR3TBDTT-HD, and DR3TBD2T with a benzo[1,2-b:4,5-b']dithiophene (BDT) unit as the central building block have been designed and synthesized for solution-processed bulk-heterojunction solar cells. Power conversion efficiencies (PCEs) of 8.12% (certified 7.61%) and 8.02% under AM 1.5G irradiation (100 mW cm(-2)) have been achieved for DR3TBDTT- and DR3TBDT2T-based organic photovoltaic devices (OPVs) with PC71BM as the acceptor, respectively. The better PCEs were achieved by improving the short-circuit current density without sacrificing the high open-circuit voltage and fill factor through the strategy of incorporating the advantages of both conventional small molecules and polymers for OPVs.

  15. Coulomb explosion and binary encounter processes in collisions between slow ions and small molecules of biological interest

    SciTech Connect

    Juhasz, Z.; Sulik, B.

    2008-12-08

    In this work we study the ion impact induced fragmentation of small molecules, which are relevant for radiation damage studies in biological tissues. We present double differential ion emission yields for collisions of N{sup 6+} ions with water and methane molecules at 15 and 30 keV impact energies. The angular distribution of the fragment ions shows post-collision and nucleus-nucleus binary collision effects. In the multiple capture energy range, a strong interplay is indicated between the Coulomb explosion and the binary collision mechanisms. In the energy region, where triple capture is dominant, an unexpected angular distribution was found for water fragments, which may be attributed to orientation sensitivity of some of the capture channels. Such processes are relevant for astrophysics and radiation therapy.

  16. Effects of Nitrogen and Oxygen Radicals on Low-Temperature Bio-Molecule Processing

    NASA Astrophysics Data System (ADS)

    Motrescu, Iuliana; Ogino, Akihisa; Tanaka, Shigeyasu; Fujiwara, Taketomo; Kodani, Shinya; Kawagishi, Hirokazu; Popa, Gheorghe; Nagatsu, Masaaki

    2011-08-01

    The mechanism by which microwave plasma is able to modify the structure and function of proteinaceous molecules is investigated. The biomolecule cystine, a dimer aminoacid, was exposed to microwave surface wave plasma produced in reactive gases, such as oxygen and nitrogen, in different conditions. Except for the physical interactions of the charged particles with the samples and the photophysical reactions induced mostly by ultraviolet radiation, these plasmas contain reactive species which promote chemical interactions. In this study we focus on the changes of biomolecules due to neutral particles inside reactive plasmas. The results proved that the effects of neutrals and charged species are not cumulative. Moreover, it seems that the charged species inside the nitrogen plasma promote nitrogen addition while the outcome of neutral exposure is cleavage. Strong oxidation occurs for oxygen treatments, most reactive species which cause oxygen addition being the oxygen molecular ions O2+.

  17. Spatial-temporal patterns and driving mechanisms of semiannual variations in the Philippine Sea

    NASA Astrophysics Data System (ADS)

    Zhao, Jun; Li, Yuanlong; Wang, Fan; Zhai, Fangguo; Yu, Xiaolin

    2012-10-01

    Satellite altimetric sea surface height (SSH) measurements from 1992 through 2010 are used to explore the oceanic semiannual variations in the Philippine Sea (PS). Pronounced semiannual SSH variations are detected within two zonal bands. One lies east of Luzon Strait (19°-22°N) in the northern PS, while the other is southeast of Mindanao coast (4°-7°N) in the southern PS. In the two near-coast boxes where semiannual harmonic amplitude exceeds 4 cm, the northern box (127°-133°E, 19°-22°N) and the southern box (127°-133°E, 4°-7°N), semiannual changes contribute considerably to the total annual SSH variance by 12% and 17%, respectively. Despite prominent SSH variability, the bifurcation latitude of the North Equatorial Current (NBL) exhibits weak fluctuations with a peak-to-peak difference of only 0.3° on semiannual time scale. While the in-phase annual SSH variations between the two boxes work together to enhance annual NBL changes, their out-of-phase semiannual SSH variations offset each other in driving the NBL displacements. Further analysis with a 11/2-layer reduced-gravity model forced by ECMWF wind stress reveals that the observed semiannual SSH variations are primarily driven by local wind forcing in the far western Pacific. Rossby wave signals propagating from the eastern/central Pacific contribute much less due to along-path dispersion and cancellation. Semiannual signals of wind field in the northern PS reflect mainly the semiannual changes of the Asian Monsoon system, while those in the southern PS arise from the combined effects of Monsoon transition and the annual migration of the intertropical convergence zone (ITCZ).

  18. Synthesis of Large Molecules in Cometary Ice Analogs: Physical Properties Related to Self-Assembly Processes

    NASA Technical Reports Server (NTRS)

    Dworkin, Jason P.; Sandford, Scott A.; Deamer, David W.; Gillette, J. Seb; Zare, Richard N.; Allamandola, Louis J. (Technical Monitor)

    1999-01-01

    The combination of realistic laboratory simulations and infrared observations have revolutionized our understanding of interstellar dust and ice-the main component of comets. Since comets and carbonaceous micrometeorites may have been important sources of volatiles and carbon compounds on the early Earth, their organic composition may be related to the origin of life. Ices on grains in molecular clouds contain a variety of simple molecules. The D/H ratios of the comets Hale-Bopp and Hyakutake are consistent with a primarily interstellar ice mixture. Within the cloud and especially in the presolar nebula through the early solar system, these icy grains would have been photoprocessed by the ultraviolet producing more complex species such as hexamethylenetetramine, polyoxymethylenes, and simple keones. We reported at the 1999 Bioastronomy meeting laboratory simulations studied to identify the types of molecules which could have been generated in pre-cometary ices. Experiments were conducted by forming a realistic interstellar mixed-molecular ice (H2O, CH3OH, NH3 and CO) at approximately 10 K under high vacuum irradiated with UV light from a hydrogen plasma lamp. The gas mixture was typically 100:50:1:1, however when different ratios were used material with similar characteristics was still produced. The residue that remained after warming to room temperature was analyzed by HPLC, and by several mass spectrometric methods. This material contains a rich mixture of complex compounds with mass spectral profiles resembling those found in IDPs and meteorites. Surface tension measurements show that an amphiphilic component is also present. These species do not appear in various controls or in unphotolyzed samples. Residues from the simulations were also dispersed in aqueous media for microscopy. The organic material forms 10-40 gm diameter droplets that fluoresce at 300-450 nm under UV excitation. These droplets have a morphology and internal structure which appear

  19. Single-molecule optical study of cholesterol-mediated dimerization process of EGFRs in different cell lines

    NASA Astrophysics Data System (ADS)

    Lin, Chien Yu; Huang, Jung Y.; Lo, Leu-Wei

    2015-03-01

    A growing body of data reveals that the membrane cholesterol molecules can alter the signaling pathways of living cells. However, the understanding about how membrane cholesterol modulates receptor proteins remains lacking. In this study we applies single-molecule optical tracking on ligand-induced dimerization process of EGFRs in the plasma membranes of several cancer and normal cell lines. We tracked individual EGFR and dual correlated receptors in the plasma membranes of live cells. We developed an energetic model based on the generalized Langevin equation and the Cahn-Hilliard equation to help extracting information from single-molecule trajectories. From the study, we discovered that ligand-bound EGFRs move from non-raft areas into lipid raft domains. This ligand-induced motion is a common behavior for all cell lines under study. By manipulating the total amount of cholesterol with methyl- β-cyclodextrin and the local concentration of cholesterol with nystatin, we found that the amount of cholesterol can affect the stability of EGFR dimers. The EGFR dimers in the plasma membrane of normal cells are more sensitive to the local concentration changes of cholesterol than EGFR dimers in the cancer cells.

  20. PDMS-glass bonding using grafted polymeric adhesive--alternative process flow for compatibility with patterned biological molecules.

    PubMed

    Beh, Cyrus Weijie; Zhou, Weizhuang; Wang, Tza-Huei

    2012-10-21

    We report a novel modification of silicone elastomer polydimethylsiloxane (PDMS) with a polymer graft that allows interfacial bonding between an elastomer and glass substrate to be performed without exposure of the substrate to harsh treatment conditions, such as oxygen plasma. Organic molecules can thus be patterned within microfluidic channels and still remain functional post-bonding. In addition, after polymer grafting the PDMS can be stored in a desiccator for at least 40 days, and activated upon exposure to acidic buffer for bonding. The bonded devices remain fully bonded in excess of 80 psi driving pressure, with no signs of compromise to the bond integrity. Finally, we demonstrate the compatibility of our method with biological molecules using a proof-of-concept DNA sensing device, in which fluorescently-labelled DNA targets are successfully captured by a patterned probe in a device sealed using our method, while the pattern on a plasma-treated device was completely destroyed. Therefore, this method provides a much-needed alternative bonding process for incorporation of biological molecules in microfluidic devices.

  1. PDMS-Glass bonding using grafted polymeric adhesive - Alternative process flow for compatibility with patterned biological molecules

    PubMed Central

    Beh, Cyrus Weijie; Zhou, Weizhuang

    2013-01-01

    We report a novel modification of silicone elastomer, polydimethylsiloxane (PDMS) with a polymer graft that allows interfacial bonding between elastomer and glass substrate to be performed without exposure of said substrate to harsh treatment conditions like oxygen plasma. Organic molecules can thus be patterned within microfluidic channels and still remain functional post-bonding. In addition, after polymer grafting the PDMS can be stored in a desiccator for at least 40 days, and activated upon exposure to acidic buffer for bonding. The bonded devices remain fully bonded in excess of 80 psi driving pressure, with no signs of compromise to the bond integrity. Finally, we demonstrate the compatibility of our method with biological molecules using a proof-of-concept DNA sensing device, in which fluorescently-labelled DNA targets are successfully captured by a patterned probe in a device sealed using our method, while the pattern on a plasma-treated device was completely destroyed. Therefore, this method provides a much-needed alternative bonding process for incorporation of biological molecules in microfluidic devices. PMID:22858861

  2. Transformations of biomass-derived platform molecules: from high added-value chemicals to fuels via aqueous-phase processing.

    PubMed

    Serrano-Ruiz, Juan Carlos; Luque, Rafael; Sepúlveda-Escribano, Antonio

    2011-11-01

    Global warming issues and the medium-term depletion of fossil fuel reserves are stimulating researchers around the world to find alternative sources of energy and organic carbon. Biomass is considered by experts the only sustainable source of energy and organic carbon for our industrial society, and it has the potential to displace petroleum in the production of chemicals and liquid transportation fuels. However, the transition from a petroleum-based economy to one based on biomass requires new strategies since the petrochemical technologies, well-developed over the last century, are not valid to process the biomass-derived compounds. Unlike petroleum feedstocks, biomass derived platform molecules possess a high oxygen content that gives them low volatility, high solubility in water, high reactivity and low thermal stability, properties that favour the processing of these resources by catalytic aqueous-phase technologies at moderate temperatures. This tutorial review is aimed at providing a general overview of processes, technologies and challenges that lie ahead for a range of different aqueous-phase transformations of some of the key biomass-derived platform molecules into liquid fuels for the transportation sector and related high added value chemicals.

  3. Reply to "Comment on `Gamma-ray spectra from low-energy positron annihilation processes in molecules' "

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoguang; Wang, Meishan; Zhu, Yinghao; Yang, Chuanlu

    2017-03-01

    In reply to the Comment of Green et al. [Phys. Rev. A 95, 036701 (2017)., 10.1103/PhysRevA.95.036701] on our paper [Phys. Rev. A 94, 052709 (2016), 10.1103/PhysRevA.94.052709], we reconfirm that all the conclusions are based on the observation and the comparisons of the theoretical and experimental data. One criticism of Green et al. [Phys. Rev. A 95, 036701 (2017)., 10.1103/PhysRevA.95.036701] concerns the positrophilic electrons and the inner valence electrons. The inner valence electrons or positrophilic electrons show most agreeable widths with the corresponding experimental measurements due to their narrowest momentum distributions for all 59 molecules. However, we agree with the criticism of Green et al. [Phys. Rev. A 95, 036701 (2017)., 10.1103/PhysRevA.95.036701] and reconfirm that this agreement does not represent the dominance of the inner valence in the annihilation process. In this Reply, we will clarify the difference between agreement and dominance and illustrate with some figures. Another criticism is about the approximation used in our paper. We emphasize that the averaged discrepancy of 34.2% for these molecules of the theoretical γ -ray spectra from the experimental measurements is due to the neglect of the positron-electron correlations, vibrational couplings, virtual-state formation, even tunneling of core electrons not the neglect of the positron wave function. In this Reply, we will show, even in this zero-order approximation, these positron-induced effects in the electron-positron annihilation process of molecules can also be analyzed with more corrections and explanations.

  4. Effects of water molecules on tribological behavior and property measurements in nano-indentation processes - a numerical analysis.

    PubMed

    Wang, Yachao; Shi, Jing

    2013-09-17

    Nano/micro-manufacturing under wet condition is an important consideration for various tool-based processes such as indentation, scratching, and machining. The existence of liquids adds complexity to the system, changes the tool/work interfacial condition, and affects material behaviors. For indentation, it may also affect material property measurements. However, little effort has been made to study this challenging issue at nano- or atomistic scale. In this study, we tackle this challenge by investigating nano-indentation processes submerged in water using the molecular dynamics (MD) simulation approach. Compared with dry indentation in which no water molecules are present, the existence of water molecules causes the increase of indentation force in initial penetration, but the decrease of indentation force in full penetration. It also reduces the sticking phenomenon between the work and tool atoms during indenter retraction, such that the indentation geometry can be better retained. Meanwhile, nano-indentation under wet condition exhibits the indentation size effect, while dry nano-indentation exhibits the reverse indentation size effect. The existence of water leads to higher computed hardness values at low indentation loads and a smaller value of Young's modulus. In addition, the friction along the tool/work interface is significantly reduced under wet indentation.

  5. Effects of water molecules on tribological behavior and property measurements in nano-indentation processes - a numerical analysis

    PubMed Central

    2013-01-01

    Nano/micro-manufacturing under wet condition is an important consideration for various tool-based processes such as indentation, scratching, and machining. The existence of liquids adds complexity to the system, changes the tool/work interfacial condition, and affects material behaviors. For indentation, it may also affect material property measurements. However, little effort has been made to study this challenging issue at nano- or atomistic scale. In this study, we tackle this challenge by investigating nano-indentation processes submerged in water using the molecular dynamics (MD) simulation approach. Compared with dry indentation in which no water molecules are present, the existence of water molecules causes the increase of indentation force in initial penetration, but the decrease of indentation force in full penetration. It also reduces the sticking phenomenon between the work and tool atoms during indenter retraction, such that the indentation geometry can be better retained. Meanwhile, nano-indentation under wet condition exhibits the indentation size effect, while dry nano-indentation exhibits the reverse indentation size effect. The existence of water leads to higher computed hardness values at low indentation loads and a smaller value of Young's modulus. In addition, the friction along the tool/work interface is significantly reduced under wet indentation. PMID:24044504

  6. Physics of Molecules

    NASA Astrophysics Data System (ADS)

    Williams, D.; Murdin, P.

    2000-11-01

    Many varieties of molecule have been detected in the Milky Way and in other galaxies. The processes by which these molecules are formed and destroyed are now broadly understood (see INTERSTELLAR CHEMISTRY). These molecules are important components of galaxies in two ways. Firstly, radiation emitted by molecules enables us to trace the presence of diffuse gas, to infer its physical properties and ...

  7. A bioactive molecule in a complex wound healing process: platelet-derived growth factor.

    PubMed

    Kaltalioglu, Kaan; Coskun-Cevher, Sule

    2015-08-01

    Wound healing is considered to be particularly important after surgical procedures, and the most important wounds related to surgical procedures are incisional, excisional, and punch wounds. Research is ongoing to identify methods to heal non-closed wounds or to accelerate wound healing; however, wound healing is a complex process that includes many biological and physiological events, and it is affected by various local and systemic factors, including diabetes mellitus, infection, ischemia, and aging. Different cell types (such as platelets, macrophages, and neutrophils) release growth factors during the healing process, and platelet-derived growth factor is a particularly important mediator in most stages of wound healing. This review explores the relationship between platelet-derived growth factor and wound healing.

  8. [Computer simulation of the transcription process in the discrete model of DNA molecule].

    PubMed

    Zakir'ianov, F K; Khamzin, S R

    2011-01-01

    A mathematical model of the nonlinear dynamics of DNA has been considered, which takes into account the real sequence of the nitrous base. Soliton solutions describing the nonlinear mechanisms of the regulation of DNA transcription have been obtained. It has been shown that the soliton-like excitation may both fade in the terminator of the first gene and pass into the promotor of the second gene. Thus, transcription processes in one gene and two consecutive genes are modeled.

  9. High-Resolution Spectroscopy and Dynamics of Multiphoton Processes in Atoms and Molecules.

    DTIC Science & Technology

    1985-06-13

    perform photoion-photoelectron coincidence studies using a resonance lamp , is presently operated Independently of the photoelectron spectrometer. The mass...photoionization of excited states of atomic carbon. Atomic carbon in both the 3 p ground state and the 1D excited state was prepared by UV multiphoton...34 Gordon Conference on UV /Visible Multiphoton Ionization and Dissociation Processes, 12-16 July 1982 (no abstract available). 5. P. M. Dehmer, "VUV

  10. A single-molecule magnet featuring a parallelogram [Dy4(OCH2-)4] core and two magnetic relaxation processes.

    PubMed

    Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben

    2013-10-01

    An alkoxido-bridged tetranuclear Dy(iii) complex, [Dy4(H3L)2(OAc)6]·2EtOH {, H6L = 1,3-bis[tris(hydroxymethyl)methylamino]propane}, has been solvothermally synthesized and characterized. An X-ray crystallographic study revealed that complex possesses a novel "parallelogram" [Dy4(OCH2-)4] core, and a new binding mode η(3):η(3):η(1):η(1):η(1):η(2):μ(4) of the Bis-tris propane ligand was observed. Magnetic investigations indicated that it is a single-molecule magnet (SMM), showing two distinct magnetic relaxation processes with the energy barriers of 44 K and 107 K, respectively. Such a two-step magnetic relaxation process could be well described by the sum of two modified Debye functions.

  11. 40 CFR 62.15350 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... it? (a) For data collected during the first half of a calendar year, submit your semiannual report by August 1 of that year. (b) For data you collected during the second half of the calendar year,...

  12. Bitter-tasting and kokumi-enhancing molecules in thermally processed avocado (Persea americana Mill.).

    PubMed

    Degenhardt, Andreas Georg; Hofmann, Thomas

    2010-12-22

    Sequential application of solvent extraction and RP-HPLC in combination with taste dilution analyses (TDA) and comparative TDA, followed by LC-MS and 1D/2D NMR experiments, led to the discovery of 10 C(17)-C(21) oxylipins with 1,2,4-trihydroxy-, 1-acetoxy-2,4-dihydroxy-, and 1-acetoxy-2-hydroxy-4-oxo motifs, respectively, besides 1-O-stearoyl-glycerol and 1-O-linoleoyl-glycerol as bitter-tasting compounds in thermally processed avocado (Persea americana Mill.). On the basis of quantitative data, dose-over-threshold (DoT) factors, and taste re-engineering experiments, these phytochemicals, among which 1-acetoxy-2-hydroxy-4-oxo-octadeca-12-ene was found with the highest taste impact, were confirmed to be the key contributors to the bitter off-taste developed upon thermal processing of avocado. For the first time, those C(17)-C(21) oxylipins exhibiting a 1-acetoxy-2,4-dihydroxy- and a 1-acetoxy-2-hydroxy-4-oxo motif, respectively, were discovered to induce a mouthfulness (kokumi)-enhancing activity in sub-bitter threshold concentrations.

  13. All-Solution-Processed Organic Light-Emitting Diodes Based on Photostable Photo-cross-linkable Fluorescent Small Molecules.

    PubMed

    Derue, Lionel; Olivier, Simon; Tondelier, Denis; Maindron, Tony; Geffroy, Bernard; Ishow, Eléna

    2016-06-29

    We demonstrate herein the fabrication of small molecule-based OLEDs where four organic layers from the hole- to the electron-transporting layers have successively been deposited by using an all-solution process. The key feature of the device relies on a novel photopolymerizable red-emitting material, made of small fluorophores substituted with two acrylate units, and displaying high-quality film-forming properties as well as high emission quantum yield as nondoped thin films. Insoluble emissive layers were obtained upon UV irradiation using low illumination doses, with no further need of postcuring. Very low photodegradation was noticed, giving rise to bright layers with a remarkable surface quality, characterized by a mean RMS roughness as low as 0.7 nm after development. Comparative experiments between solution-processed OLEDs and vacuum-processed OLEDs made of fluorophores with close architectures show external quantum efficiencies in the same range while displaying distinct behaviors in terms of current and power efficiencies. They validate the proof of concept of nondoped solution-processable emissive layers exclusively made of photopolymerized fluorophores, thereby reducing the amount of components and opening the way toward cost-effective fabrication of solution-processed OLED multilayer architectures.

  14. Semiannual Report to Congress on the Effectiveness of the Civil Aviation Security Program.

    DTIC Science & Technology

    1984-04-13

    AD-fl143 023 SEMIANNUAL REPORT TO CONGRESS ON THEUEFFECTIVENESS OF i/i THE CIVIL AVIATION SECURITY PROGRAM(U) FEDERAL AVIATION ADMINISTRATION...Semiannual Report to O Congress on the US Deportmnent of TrasEffectiveness ofi of TransportationFedewl Avkffim Avao The Civil Aviation - Security Program... Aviation Security Program 8. Performing OrgniaetioNi RePwt Us. Aviation Security Division 9. Performing Organistion Name and Address 10. Work Unit No

  15. [Calculation of the amount of free water molecules in aqueous solutions by means of spectral parameters from the terahertz frequency domain taking into account processes of screening].

    PubMed

    Pen'kov, N V; Iashin, V A; Fesenko, E E; Fesenko, E E

    2014-01-01

    In this paper we derive a formula to calculate the amount of free water molecules in solution. Physical values in this formula may be obtained by analyzing the spectra of aqueous solutions in the terahertz frequency range. Formula is derived on the basis of considering water polarization process in electric field. It is shown that without processes of shielding the electric field in the water calculations lead to very high estimation of a share of free water molecule.

  16. A model for the temperature and composition effects in the semiannual variations of the thermospheric density

    NASA Technical Reports Server (NTRS)

    Mayr, H. G.; Volland, H.

    1971-01-01

    A model is proposed in which latitudinal variations in composition and temperature are used to interpret the semiannual effect in the thermospheric density. Two heat sources are postulated for the semiannual circulation: one at high latitudes associated with the semiannual component in the occurance of magnetic storms and a second weaker one that peaks at the equator associated with the semiannual migration between both hemispheres. Depending on the relative magnitude of these sources, the latitude regions in which composition and temperature effects dominate vary. The temperature effects however should be expected weakest at low to mid latitudes where the relative concentration of atomic oxygen is enriched during equinox. At high latitudes the semiannual temperature component would peak, associated with an oxygen depletion in the lower thermosphere during equinox. In combining these features it is shown that the total atmospheric density could still exhibit a relatively small latitude dependence in the semiannual component with the tendency to decrease at high latitudes, in agreement with observations.

  17. Ultra-stable Molecule-Surface Architectures at Metal Oxides: Structure, Bonding, and Electron-transfer Processes

    SciTech Connect

    Hamers, Robert John

    2013-12-07

    Research funded by this project focused on the development of improved strategies for functionalization of metal oxides to enhance charge-transfer processes relevant to solar energy conversion. Initial studies included Fe2O3, WO3, TiO2, SnO2, and ZnO as model oxide systems; these systems were chosen due to differences in metal oxidation state and chemical bonding types in these oxides. Later studies focused largely on SnO2 and ZnO, as these materials show particularly promising surface chemistry, have high electron mobility, and can be readily grown in both spherical nanoparticles and as elongated nanorods. New molecules were synthesized that allowed the direct chemical assembly of novel nanoparticle ?dyadic? structures in which two different oxide materials are chemically joined, leading to an interface that enhances the separation of of charge upon illumination. We demonstrated that such junctions enhance photocatalytic efficiency using model organic compounds. A separate effort focused on novel approaches to linking dye molecules to SnO2 and ZnO as a way to enhance solar conversion efficiency. A novel type of surface binding through

  18. Field programmable chemistry: integrated chemical and electronic processing of informational molecules towards electronic chemical cells.

    PubMed

    Wagler, Patrick F; Tangen, Uwe; Maeke, Thomas; McCaskill, John S

    2012-07-01

    The topic addressed is that of combining self-constructing chemical systems with electronic computation to form unconventional embedded computation systems performing complex nano-scale chemical tasks autonomously. The hybrid route to complex programmable chemistry, and ultimately to artificial cells based on novel chemistry, requires a solution of the two-way massively parallel coupling problem between digital electronics and chemical systems. We present a chemical microprocessor technology and show how it can provide a generic programmable platform for complex molecular processing tasks in Field Programmable Chemistry, including steps towards the grand challenge of constructing the first electronic chemical cells. Field programmable chemistry employs a massively parallel field of electrodes, under the control of latched voltages, which are used to modulate chemical activity. We implement such a field programmable chemistry which links to chemistry in rather generic, two-phase microfluidic channel networks that are separated into weakly coupled domains. Electric fields, produced by the high-density array of electrodes embedded in the channel floors, are used to control the transport of chemicals across the hydrodynamic barriers separating domains. In the absence of electric fields, separate microfluidic domains are essentially independent with only slow diffusional interchange of chemicals. Electronic chemical cells, based on chemical microprocessors, exploit a spatially resolved sandwich structure in which the electronic and chemical systems are locally coupled through homogeneous fine-grained actuation and sensor networks and play symmetric and complementary roles. We describe how these systems are fabricated, experimentally test their basic functionality, simulate their potential (e.g. for feed forward digital electrophoretic (FFDE) separation) and outline the application to building electronic chemical cells.

  19. MODIS Science Team Member Semi-annual Report

    NASA Technical Reports Server (NTRS)

    Vermote, Eric; ElSaleous, Nazmi; Fisher, Paul; Karakos, Damianos; Ray, James; Vermeulen, Anne

    1998-01-01

    This paper presents a semi-annual report of the MODerate resolution imaging Spectroradiometer (MODIS) Science Team Members. The most important activities undertaken during this reporting period are the following: 1) Versions 2.1 and 2.2 surface reflectance L2/L3 DAAC/SDST delivery; 2) Version 2.0 1km and 250m VI product delivery (assist Arizona); 3) Version 2.1 surface reflectance L2 testing; 4) Land Synthetic data set generator improvements; 5) QA; 6) Surface reflectance error budget generation (SWAMP request); 7) SCF Hardware; 8) Aerosol transport modeling; 9) Aerosol optical depth retrieval from AVHRR data; 10) Aerosol characteristics retrieval from SeaWIFS/AVHRR fusioned data; 11) Validation activities; 12) Aerosol climatology; and 13) 6S code. The report includes summaries of the topics above.

  20. Semiannual report to Congress, October 1, 1994--March 31, 1995

    SciTech Connect

    1995-04-01

    The Office of Inspector General Semiannual Report to the Congress covers the period October 1, 1994, through March 31, 1995. The report summarizes significant audit, inspection and investigative accomplishments for the reporting period, a large number of which facilitated Department management`s efforts to improve management controls and ensure efficient and effective operation. Narratives of the most significant reports are grouped by six primary performance measures: (1) Recommendations accepted by management, (2) Audit/inspection savings, recoveries, and funds identified for better use, (3) Legislative/regulatory compliance to recommendations, (4) Positive impacts on the Department after implementation of recommendations, (5) Complaints resolved, and (6) Investigation recoveries, fines, and funds identified for better use.

  1. Quality by design in formulation and process development for a freeze-dried, small molecule parenteral product: a case study.

    PubMed

    Mockus, Linas N; Paul, Timothy W; Pease, Nathan A; Harper, Nancy J; Basu, Prabir K; Oslos, Elizabeth A; Sacha, Gregory A; Kuu, Wei Y; Hardwick, Lisa M; Karty, Jacquelyn J; Pikal, Michael J; Hee, Eun; Khan, Mansoor A; Nail, Steven L

    2011-01-01

    A case study has been developed to illustrate one way of incorporating a Quality by Design approach into formulation and process development for a small molecule, freeze-dried parenteral product. Sodium ethacrynate was chosen as the model compound. Principal degradation products of sodium ethacrynate result from hydrolysis of the unsaturated ketone in aqueous solution, and dimer formation from a Diels-Alder condensation in the freeze-dried solid state. When the drug crystallizes in a frozen solution, the eutectic melting temperature is above -5°C. Crystallization in the frozen system is affected by pH in the range of pH 6-8 and buffer concentration in the range of 5-50 mM, where higher pH and lower buffer concentration favor crystallization. Physical state of the drug is critical to solid state stability, given the relative instability of amorphous drug. Stability was shown to vary considerably over the ranges of pH and buffer concentration examined, and vial-to-vial variability in degree of crystallinity is a potential concern. The formulation design space was constructed in terms of pH and drug concentration, and assuming a constant 5 mM concentration of buffer. The process design space is constructed to take into account limitations on the process imposed by the product and by equipment capability.

  2. The Semiannual Oscillation of Southern Ocean Sea Level

    NASA Astrophysics Data System (ADS)

    Hibbert, A.

    2012-04-01

    The atmospheric Semiannual Oscillation (SAO) is a half-yearly wave in mean sea level air pressure, which exhibits equinoctial maxima between 45°S and 50°S and solstitial maxima between 55°S and 65°s, with a phase reversal occurring at around 60°S. Its existence has been attributed to a phase difference in the annual temperature cycle between mid- and high-latitudes which sets up meridional temperature and pressure gradients that are largest during September and March, enhancing atmospheric baroclinicity and inducing equinoctial maxima in the Southern Hemisphere Westerlies. In this study, we use harmonic analysis of atmospheric and oceanic Southern Ocean datasets to show that this atmospheric SAO induces oceanic counterparts in sea level and circumpolar transport. This aspect of atmosphere-ocean interaction is particularly important, given the capacity of the Antarctic Circumpolar Current (ACC) to influence regional climate through the exchange of heat, fresh water and nutrients to each of the major ocean basins. We examine the relative contributions of local and regional semiannual atmospheric fluctuations in explaining the observed sea level response at 20 Southern Ocean and South Atlantic tide gauge stations and find that the oceanic SAO is associated with a modulation of zonal surface wind strength at key latitudes between ~55°S and 65°S. We also explore whether a seasonal inequality in SAO amplitude might facilitate the deduction of the timescales upon which Southern Ocean 'eddy saturation' theory might operate. However, though we find evidence of biannual fluctuations in eddy kinetic energy, regional variations in the phases and amplitudes of these emergent harmonics prevent us from elucidating the possible timescales upon which an eddy response to the atmospheric SAO might arise.

  3. Semiannual progress report, April - September 1991

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Research conducted during the past year in the climate and modeling programs has concentrated on the development of appropriate atmospheric and upper ocean models, and preliminary applications of these models. Principal models are a one-dimensional radiative-convective model, a three dimensional global climate model, and an upper ocean model. Principal applications have been the study of the impact of CO2, aerosols, and the solar constant on climate. Progress was made in the 3-D model development towards physically realistic treatment of these processes. In particular, a map of soil classifications on 1 degree by 1 degree resolution has now been digitized, and soil properties have been assigned to each soil type. Using this information about soil properties, a method has been developed to simulate the hydraulic behavior of the soils of the world. This improved treatment of soil hydrology, together with the seasonally varying vegetation cover, will provide a more realistic study of the role of the terrestrial biota in climate change. A new version of the climate model was created which follows the isotopes of water and sources of water throughout the planet.

  4. Electron-rich anthracene semiconductors containing triarylamine for solution-processed small-molecule organic solar cells.

    PubMed

    Choi, Hyeju; Ko, Haye Min; Cho, Nara; Song, Kihyung; Lee, Jae Kwan; Ko, Jaejung

    2012-10-01

    New electron-rich anthracene derivatives containing triarylamine hole stabilizers, 2,6-bis[5,5'-bis(N,N'-diphenylaniline)-2,2'-bithiophen-5-yl]-9,10-bis-[(triisopropylsilyl)ethynyl]anthracene (TIPSAntBT-TPA) and 2,6-bis(5,5'-bis{4-[bis(9,9-dimethyl-9H-fluoren-2-yl)amino]phenyl}-2,2'-bithiophen-5-yl)-9,10-bis-[(triisopropylsilyl)ethynyl]anthracene (TIPSAntBT-bisDMFA), linked with π-conjugated bithiophene bridges, were synthesized and their photovoltaic characteristics were investigated in solution-processed small-molecule organic solar cells (SMOSCs). These new materials exhibited superior intramolecular charge transfer from triarylamine to anthracene, leading to a more electron-rich anthracene core that facilitated electron transfer into phenyl-C(61)-butyric acid methyl ester. Compared with TIPSAntBT and triarylamine, these materials show a threefold improvement in hole-transporting properties and better photovoltaic performance in solution-processed SMOSCs, with the best power conversion efficiency being 2.96 % at a high open-circuit voltage of 0.85 V.

  5. Random walk of processive, quantum dot-labeled myosin Va molecules within the actin cortex of COS-7 cells.

    PubMed

    Nelson, Shane R; Ali, M Yusuf; Trybus, Kathleen M; Warshaw, David M

    2009-07-22

    Myosin Va (myoVa) is an actin-based intracellular cargo transporter. In vitro experiments have established that a single myoVa moves processively along actin tracks, but less is known about how this motor operates within cells. Here we track the movement of a quantum dot (Qdot)-labeled myoVa HMM in COS-7 cells using total internal reflectance fluorescence microscopy. This labeling approach is unique in that it allows myoVa, instead of its cargo, to be tracked. Single-particle analysis showed short periods (molecules attached to the Qdot. With high time (16.6 ms) and spatial (15 nm) resolution imaging, Qdot-labeled myoVa moved with sequential 75 nm steps per head, at a rate of 16 s(-1), similarly to myoVa in vitro. Monte Carlo modeling suggests that the random nature of the trajectories represents processive myoVa motors undergoing a random walk through the dense and randomly oriented cortical actin network.

  6. Highly efficient, solution processed electrofluorescent small molecule white organic light-emitting diodes with a hybrid electron injection layer.

    PubMed

    Jiang, Zhixiong; Zhong, Zhiming; Xue, Shanfeng; Zhou, Yan; Meng, Yanhong; Hu, Zhanhao; Ai, Na; Wang, Jianbin; Wang, Lei; Peng, Junbiao; Ma, Yuguang; Pei, Jian; Wang, Jian; Cao, Yong

    2014-06-11

    Highly efficient, solution-processed, and all fluorescent white organic light-emitting diodes (WOLEDs) based on fluorescent small molecules have been achieved by incorporating a low-conductivity hole injection layer and an inorganic-organic hybrid electron injection layer. The light-emission layer is created by doping a fluorescent π-conjugated blue dendrimer host (the zeroth generation dendrimer, G0) with a yellow-emitting fluorescent dopant oligo(paraphenylenevinylene) derivative CN-DPASDB with a doping ratio of 100:0.15 (G0:CN-DPASDB) by weight. To suppress excessive holes, the high-conductivity hole injection layer (PEDOT:PSS AI 4083) is replaced by the low-conductivity PEDOT:PSS CH 8000. To facilitate the electron injection, a hybrid electron injection layer is introduced by doping a methanol/water-soluble conjugated polymer poly[(9,9-bis(30-(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)] (PFNR2) with solution-processed cesium fluoride (CsF). The device achieves a maximum luminous efficiency of 17.0 cd A(-1) and a peak power efficiency of 15.6 lm W(-1) at (0.32, 0.37) with a color rendering index of 64.

  7. Isoindigo-Based Small Molecules with Varied Donor Components for Solution-Processable Organic Field Effect Transistor Devices.

    PubMed

    Patil, Hemlata; Chang, Jingjing; Gupta, Akhil; Bilic, Ante; Wu, Jishan; Sonar, Prashant; Bhosale, Sheshanath V

    2015-09-18

    Two solution-processable small organic molecules, (E)-6,6'-bis(4-(diphenylamino)phenyl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S10) and (E)-6,6'-di(9H-carbazol-9-yl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S11) were successfully designed, synthesized and fully characterized. S10 and S11 are based on a donor-acceptor-donor structural motif and contain a common electron accepting moiety, isoindigo, along with different electron donating functionalities, triphenylamine and carbazole, respectively. Ultraviolet-visible absorption spectra revealed that the use of triphenylamine donor functionality resulted in an enhanced intramolecular charge transfer transition and reduction of optical band gap, when compared with its carbazole analogue. Both of these materials were designed to be donor semiconducting components, exerted excellent solubility in common organic solvents, showed excellent thermal stability, and their promising optoelectronic properties encouraged us to scrutinize charge-carrier mobilities using solution-processable organic field effect transistors. Hole mobilities of the order of 2.2 × 10(-4) cm²/Vs and 7.8 × 10(-3) cm²/Vs were measured using S10 and S11 as active materials, respectively.

  8. Near-infrared spectroscopic monitoring of the diffusion process of deuterium-labeled molecules in wood. Part II: hardwood.

    PubMed

    Tsuchikawa, Satoru; Siesler, H W

    2003-06-01

    Fourier transform near-infrared (FT-NIR) transmission spectroscopy was applied to monitor the diffusion process of deuterium-labeled molecules in hardwood (Beech). The results are compared with previous data obtained on softwood (Sitka spruce) in order to consistently understand the state of order in cellulose of wood. The saturation accessibility and diffusion rate varied characteristically with the OH groups in different states of order in the wood substance, the diffusants, and the wood species, respectively. The variation of saturation accessibility should be associated with the fundamental difference of the fine structure such as the microfibrils in the wood substance. The effect of the anatomical cellular structure on the accessibility was reflected in the variation of the diffusion rate with the wood species. The size effect of the diffusants also played an important role for the diffusion process in wood. Since the volumetric percentage of wood fibers and wood rays is relatively similar, the dichroic effects due to the anisotropy of the cellulose chains were apparently diminished. Finally, we proposed a new interpretation of the fine structure of the microfibrils in the cell wall by comparing a series of results from hardwood and softwood. Each elementary fibril in the hardwood has a more homogeneous arrangement in the microfibrils compared to that in the softwood.

  9. Random Walk of Processive, Quantum Dot-Labeled Myosin Va Molecules within the Actin Cortex of COS-7 Cells

    PubMed Central

    Nelson, Shane R.; Ali, M. Yusuf; Trybus, Kathleen M.; Warshaw, David M.

    2009-01-01

    Abstract Myosin Va (myoVa) is an actin-based intracellular cargo transporter. In vitro experiments have established that a single myoVa moves processively along actin tracks, but less is known about how this motor operates within cells. Here we track the movement of a quantum dot (Qdot)-labeled myoVa HMM in COS-7 cells using total internal reflectance fluorescence microscopy. This labeling approach is unique in that it allows myoVa, instead of its cargo, to be tracked. Single-particle analysis showed short periods (≤0.5 s) of ATP-sensitive linear motion. The mean velocity of these trajectories was 604 nm/s and independent of the number of myoVa molecules attached to the Qdot. With high time (16.6 ms) and spatial (15 nm) resolution imaging, Qdot-labeled myoVa moved with sequential 75 nm steps per head, at a rate of 16 s−1, similarly to myoVa in vitro. Monte Carlo modeling suggests that the random nature of the trajectories represents processive myoVa motors undergoing a random walk through the dense and randomly oriented cortical actin network. PMID:19619465

  10. Isotope Separation and Advanced Manufacturing Technology. ISAM semiannual report, Volume 3, Number 1, October 1993--March 1994

    SciTech Connect

    Carpenter, J.; Kan, T.

    1994-10-01

    This is the fourth issue of a semiannual report for the Isotope Separation and Advanced Materials Manufacturing (ISAM) Technology Program at Lawrence Livermore National Laboratory. Primary objectives include: (I) the Uranium Atomic Vapor Laser Isotope Separation (UAVLIS) process, which is being developed and prepared for deployment as an advanced uranium enrichment capability; (II) Advanced manufacturing technologies, which include industrial laser and E-beam material processing and new manufacturing technologies for uranium, plutonium, and other strategically important materials in support of DOE and other national applications. This report features progress in the ISAM Program from October 1993 through March 1994. Selected papers were indexed separately for inclusion in the Energy Science and Technology Database.

  11. Four Mile Creek semi-annual sampling report, January 1993 sampling event

    SciTech Connect

    Not Available

    1993-05-01

    From 1955 to 1988 low-level radioactive wastewater generated by chemical separation processes within the General Separations Area (GSA) was discharged to seepage basins in the F and H Areas of the Savannah River Site (SRS). These basins were designed to permit the infiltration of the process wastewaters. As wastewater percolated downward through the basins, chemical and radioactive constituents were retained or sequestered in the subsoils. An extensive study aimed at characterizing the groundwater seeping into Four Mile Creek and its associated seepline was conducted in 1988 and 1989 (Haselow et al. 1990). Results of this study suggested that contaminants leaching from the F and H Area seepage basins were impacting the Four Mile Creek wetland system. The seepage basins were closed in 1988 and capped and sealed in 1990. This effectively eliminated the source of the contaminants and the hydraulic head driving the migration of contaminants from the basins. It has been hypothesized that, after the elimination of the source and head, annual rainfall amounts would be sufficient to dilute and flush out contaminants remaining in the subsoils and groundwaters beneath the basins. Westinghouse Savannah River Company has designed a semi-annual sampling and analytical program for the Four Mile Creek (FMC) seepline and stream water to test the hypothesis. This report summarizes field monitoring activities from January 25, 1993 to February 4, 1993.

  12. 78 FR 59047 - 30-Day Notice of Proposed Information Collection: Semi-Annual Labor Standards Enforcement Report...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-25

    ... Title of Information Collection: Semi-annual Labor Standards Enforcement Report--Local Contracting... URBAN DEVELOPMENT 30-Day Notice of Proposed Information Collection: Semi-Annual Labor Standards Enforcement Report--Local Contracting Agencies (HUD Programs) AGENCY: Office of the Chief Information...

  13. 78 FR 45260 - 60-Day Notice of Proposed Information Collection: Semi-annual Labor Standards Enforcement Report...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-26

    ... URBAN DEVELOPMENT 60-Day Notice of Proposed Information Collection: Semi-annual Labor Standards... (800) 877-8339. FOR FURTHER INFORMATION CONTACT: Colette Pollard, Reports Management Officer, QDAM... Collection: Semi-annual Labor Standards Enforcement Report-Local Contracting Agencies (HUD Programs)....

  14. Migration of additive molecules in a polymer filament obtained by melt spinning: Influence of the fiber processing steps

    SciTech Connect

    Gesta, E.; Skovmand, O.; Espuche, E. Fulchiron, R.

    2015-12-17

    The purpose of this study is to understand the influence of the yarn processing on the migration of additives molecules, especially insecticide, within polyethylene (PE) yarns. Yarns were manufactured in the laboratory focusing on three key-steps (spinning, post-stretching and heat-setting). Influence of each step on yarn properties was investigated using tensile tests, differential scanning calorimetry and wide-angle X-ray diffraction. The post-stretching step was proved to be critical in defining yarn mechanical and structural properties. Although a first orientation of polyethylene crystals was induced during spinning, the optimal orientation was only reached by post-stretching. The results also showed that the heat-setting did not significantly change these properties. The presence of additives crystals at the yarn surface was evidenced by scanning-electron microscopy. These studies performed at each yarn production step allowed a detailed analysis of the additives’ ability to migrate. It is concluded that while post-stretching decreased the migration rate, heat-setting seems to boost this migration.

  15. Federal Energy Resources Modernization Coordinating Committee; Semiannual report, April 1, 1992--September 30, 1992

    SciTech Connect

    Parker, G. B.

    1993-04-01

    This report summarizes the broad range of activities that are focused on meeting the President's Executive Order on Federal Energy Management promulgated to meet energy savings goals and encourage more efficient management of all federal energy resources. These activities are reported semiannually under the auspices of the Federal Energy Resource Modernization (FERM) Coordinating Committee, and as such include activities undertaken from April 1, 1992, through September 30, 1992. The activities reported are classified into four major categories: (1) technology-base support, which includes development of processes, software, metering and monitoring equipment and strategies, and other tools for federal energy managers to better understand and characterize their energy resources; (2) federal energy systems testing and monitoring; (3) federal energy systems revitalization projects at federal installations in cooperation with the utilities serving the sites; and (4) energy supply, distribution and end-use conservation assessment for federal agencies and/or facilities. Lighting systems and air conditioning projects at federal facilities, especially military bases are updated.

  16. Semi-annual technical report, September 30, 1999 - March 31, 2000

    SciTech Connect

    Schumacher, Dorin

    2000-04-01

    The Consortium for Plant Biotechnology Research, Inc. (CPBR) continues to operate according to objectives outlined in the proposal funded through the cooperative agreement. The italicized objectives below are addressed in this report, which covers the period September 30,1999 through March 31, 2000. (1) Update the research agenda using information obtained from member companies. (2) Identify and implement research projects that are deemed by industrial, scientific, and sponsoring agency evaluation to address significantly the problems and future of U.S. energy resources and that are relevant to the Department of Energy's mission. Specifically: (1) Announce research grants competition through a Request for Preproposals. (2) Conduct a dual-stage review process: Stage one--industrial and DOE review of preproposals; and Stage two--peer review, scientific consultants' review, DOE review of full proposals and Project Recommendation Committee evaluation and recommendation for funding. (3) Board of Directors approval of recommended awards. (4) Conduct ongoing project management. (5) Obtain semiannual, annual and final reports for evaluation of research goals and technology transfer. (6) Present reports to DOE.

  17. Advanced Researech and Technology Development fossil energy materials program: Semiannual progress report for the period ending September 30, 1988

    SciTech Connect

    Not Available

    1989-01-01

    The objective of the ARandTD Fossil Energy Materials Program is to conduct research and development on materials for fossil energy applications with a focus on the longer-term and generic needs of the various fossil fuel technologies. The program includes research aimed toward a better understanding of materials behavior in fossil energy environments and the development of new materials capable of substantial enhancement of plant operations and reliability. The ORNL Fossil Energy Materials Program Office compiles and issues this combined semiannual progress report from camera-ready copies submitted by each of the participating subcontractor organizations. This report of activities on the program is organized in accordance with a work breakdown structure in which projects are organized according to materials research thrust areas. These areas are (1) Structural Ceramics, (2) Alloy Development and Mechanical Properties, (3) Corrosion and Erosion of Alloys, and (4) Assessments and Technology Transfer. Individual projects are processed separately for the data bases.

  18. NEUTRON MULTIPLICITY AND ACTIVE WELL NEUTRON COINCIDENCE VERIFICATION MEASUREMENTS PERFORMED FOR MARCH 2009 SEMI-ANNUAL DOE INVENTORY

    SciTech Connect

    Dewberry, R.; Ayers, J.; Tietze, F.; Klapper, K.

    2010-02-05

    The Analytical Development (AD) Section field nuclear measurement group performed six 'best available technique' verification measurements to satisfy a DOE requirement instituted for the March 2009 semi-annual inventory. The requirement of (1) yielded the need for SRNL Research Operations Department Material Control & Accountability (MC&A) group to measure the Pu content of five items and the highly enrich uranium (HEU) content of two. No 14Q-qualified measurement equipment was available to satisfy the requirement. The AD field nuclear group has routinely performed the required Confirmatory Measurements for the semi-annual inventories for fifteen years using sodium iodide and high purity germanium (HpGe) {gamma}-ray pulse height analysis nondestructive assay (NDA) instruments. With appropriate {gamma}-ray acquisition modeling, the HpGe spectrometers can be used to perform verification-type quantitative assay for Pu-isotopics and HEU content. The AD nuclear NDA group is widely experienced with this type of measurement and reports content for these species in requested process control, MC&A booking, and holdup measurements assays Site-wide. However none of the AD HpGe {gamma}-ray spectrometers have been 14Q-qualified, and the requirement of reference 1 specifically excluded a {gamma}-ray PHA measurement from those it would accept for the required verification measurements. The requirement of reference 1 was a new requirement for which the Savannah River National Laboratory (SRNL) Research Operations Department (ROD) MC&A group was unprepared. The criteria for exemption from verification were: (1) isotope content below 50 grams; (2) intrinsically tamper indicating or TID sealed items which contain a Category IV quantity of material; (3) assembled components; and (4) laboratory samples. Therefore all (SRNL) Material Balance Area (MBA) items with greater than 50 grams total Pu or greater than 50 grams HEU were subject to a verification measurement. The pass

  19. Single-molecule fluorescence imaging of processive myosin with enhanced background suppression using linear zero-mode waveguides (ZMWs) and convex lens induced confinement (CLIC).

    PubMed

    Elting, Mary Williard; Leslie, Sabrina R; Churchman, L Stirling; Korlach, Jonas; McFaul, Christopher M J; Leith, Jason S; Levene, Michael J; Cohen, Adam E; Spudich, James A

    2013-01-14

    Resolving single fluorescent molecules in the presence of high fluorophore concentrations remains a challenge in single-molecule biophysics that limits our understanding of weak molecular interactions. Total internal reflection fluorescence (TIRF) imaging, the workhorse of single-molecule fluorescence microscopy, enables experiments at concentrations up to about 100 nM, but many biological interactions have considerably weaker affinities, and thus require at least one species to be at micromolar or higher concentration. Current alternatives to TIRF often require three-dimensional confinement, and thus can be problematic for extended substrates, such as cytoskeletal filaments. To address this challenge, we have demonstrated and applied two new single-molecule fluorescence microscopy techniques, linear zero-mode waveguides (ZMWs) and convex lens induced confinement (CLIC), for imaging the processive motion of molecular motors myosin V and VI along actin filaments. Both technologies will allow imaging in the presence of higher fluorophore concentrations than TIRF microscopy. They will enable new biophysical measurements of a wide range of processive molecular motors that move along filamentous tracks, such as other myosins, dynein, and kinesin. A particularly salient application of these technologies will be to examine chemomechanical coupling by directly imaging fluorescent nucleotide molecules interacting with processive motors as they traverse their actin or microtubule tracks.

  20. Semiclassical study of the quenching of excited-state fluorine atom by hydrogen molecule - Comparison between reactive and nonreactive processes

    NASA Technical Reports Server (NTRS)

    Yuan, J.-M.; Skuse, B. M.; Jaffe, R. L.; Komornicki, A.; Morokuma, K.; George, T. F.

    1980-01-01

    Semiclassical calculations are carried out for the quenching of excited-state fluorine atom by collinear collisions with hydrogen molecule. The overall quenching probability is the sum of two contributions: the reactive quenching probability associated with the formation of hydrogen fluoride and the nonreactive quenching probability leading to ground-state fluorine atom and hydrogen molecule. The reactive probability is greater in the threshold region of the collision energy, whereas the nonreactive probability dominates for energies above the threshold region.

  1. Kinematic slowing and electrostatic guiding of KBr molecules formed by the reactive collision process: K + HBr --> KBr + H.

    PubMed

    Liu, Ning-Ning; Loesch, Hansjürgen

    2010-03-11

    We have generated a beam of translationally cold KBr molecules formed by exoergic reactive collisions in counterpropagating beams of K atoms and HBr molecules. The method relies on the extreme mass ratio of the products and the proper choice of the beam velocities (Liu, N.-N.; Loesch, H. J. Phys. Rev. Lett. 2007, 98, 10300). Here, we report the results of experiments on guiding the slow molecules from the site of their creation to the detector by a linear electrostatic quadrupole field. The device enhances the total intensity by a factor of 2.3 and the intensity at 14.2 m/s (1.4K) by an order of magnitude. The density velocity distributions, deduced directly from the observed time-of-flight profiles, peak at 20 m/s (2.9K). A numerical simulation of the guiding efficiency indicates that the polarization of the nascent molecules is first altered by a sudden change of the quantization axis from parallel to the initial relative velocity to parallel to the fringing field and thereafter follows adiabatically the local field as quantization axis. Drastic differences between the velocity and rotational state distributions of the molecules entering and leaving the energized quadrupole field are predicted. The counterpropagating beams can be used to continuously load an electrostatic trap. The equilibrium density of confined molecules is estimated to 1 x 10(7) cm(-3).

  2. First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe110 surface.

    PubMed

    Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

    2010-09-29

    Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C(2)H(2) molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C(2)H(2) molecules. The most stable site for C(2)H(2) on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C(2)H(2) molecule, the barrier height energies for the C atom, C(2)-dimer and CH as well as the C(2)H(2) molecule are estimated using the nudged elastic band method. The barrier height energy for C(2)H(2) is 0.71 eV and this indicates that the C(2)H(2) diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C(2)H(2) on Fe. The first step is the dissociation of C(2)H(2) into C(2)H and H, and the second step is that of C(2)H into C(2) and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C(2)H(2) into C(2)H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C(2)H(2). The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C(2)H(2) which characterizes the beginning of the formation of the graphene.

  3. The SPARC water vapour assessment II: comparison of annual, semi-annual and quasi-biennial variations in stratospheric and lower mesospheric water vapour observed from satellites

    NASA Astrophysics Data System (ADS)

    Lossow, Stefan; Khosrawi, Farahnaz; Nedoluha, Gerald E.; Azam, Faiza; Bramstedt, Klaus; Burrows, John. P.; Dinelli, Bianca M.; Eriksson, Patrick; Espy, Patrick J.; García-Comas, Maya; Gille, John C.; Kiefer, Michael; Noël, Stefan; Raspollini, Piera; Read, William G.; Rosenlof, Karen H.; Rozanov, Alexei; Sioris, Christopher E.; Stiller, Gabriele P.; Walker, Kaley A.; Weigel, Katja

    2017-03-01

    In the framework of the second SPARC (Stratosphere-troposphere Processes And their Role in Climate) water vapour assessment (WAVAS-II), the amplitudes and phases of the annual, semi-annual and quasi-biennial variation in stratospheric and lower mesospheric water were compared using 30 data sets from 13 different satellite instruments. These comparisons aimed to provide a comprehensive overview of the typical uncertainties in the observational database which can be considered in subsequent observational and modelling studies. For the amplitudes, a good agreement of their latitude and altitude distribution was found. Quantitatively there were differences in particular at high latitudes, close to the tropopause and in the lower mesosphere. In these regions, the standard deviation over all data sets typically exceeded 0.2 ppmv for the annual variation and 0.1 ppmv for the semi-annual and quasi-biennial variation. For the phase, larger differences between the data sets were found in the lower mesosphere. Generally the smallest phase uncertainties can be observed in regions where the amplitude of the variability is large. The standard deviations of the phases for all data sets were typically smaller than a month for the annual and semi-annual variation and smaller than 5 months for the quasi-biennial variation. The amplitude and phase differences among the data sets are caused by a combination of factors. In general, differences in the temporal variation of systematic errors and in the observational sampling play a dominant role. In addition, differences in the vertical resolution of the data, the considered time periods and influences of clouds, aerosols as well as non-local thermodynamic equilibrium (NLTE) effects cause differences between the individual data sets.

  4. A Solution-Processable Molecule using Thieno[3,2-b]thiophene as Building Block for Efficient Organic Solar Cells.

    PubMed

    Wei, Huan; Chen, Weichao; Han, Liangliang; Wang, Ting; Bao, Xichang; Li, Xiaoyun; Liu, Jie; Zhou, Yuanhang; Yang, Renqiang

    2015-08-01

    A solution-processed acceptor-π-donor-π-acceptor (A-π-D-π-A) type small molecule, namely DCATT, has been designed and synthesized for the application as donor material in organic solar cells. The fused aromatic unit thieno[3,2-b]thiophene (TT) flanked with thiophene is applied as π bridge, while 4,8-bisthienyl substituted benzodithiophene (BDT) and 2-ethylhexyl cyanoacetate are chosen as the central building block and end group, respectively. Introduction of fused ring to the small molecule enhances the conjugation length of the main chain, and gives a strong tendency to form π-π stacking with a large overlapping area which favors to high charge carrier transport. Small-molecule organic solar cells based on blends of DCATT and fullerene acceptor exhibit power conversion efficiencies as high as 5.20 % under the illumination of AM 1.5G, 100 mW cm(-2) .

  5. Molecule nanoweaver

    DOEpatents

    Gerald, II; Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  6. High performance asymmetrical push-pull small molecules end-capped with cyanophenyl for solution-processed solar cells.

    PubMed

    Gao, Hang; Li, Yanqin; Wang, Lihui; Ji, Changyan; Wang, Yue; Tian, Wenjing; Yang, Xichuan; Yin, Lunxiang

    2014-09-14

    Two novel asymmetrical push-pull small molecules have been synthesized successfully, consisting of triphenylamine and diketopyrrolopyrrole as a fundamental dipolar D-π-A structure with ethynylbenzene as the π-bridge. TPATDPPCN end-capped with cyanophenyl exhibits a low optical band gap of 1.65 eV, and an impressive PCE of 5.94% has been achieved.

  7. Semiannual report to Congress, October 1, 1995--March 31, 1996

    SciTech Connect

    1996-04-01

    This Office of Inspector General Semiannual Report to the Congress covers the period from October 1, 1995, through March 31, 1996. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period, a large portion of which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. A major accomplishment during this period was the completion of financial statement audits for Fiscal Year 1995. Annual financial statement audits are mandated by the Chief Financial Officers Act of 1990. Narratives of our most significant reports are grouped by measures which the Office of Inspector General uses to gauge its performance. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. During this reporting period, the Office of Inspector General issued 67 audit and 15 inspection reports. For reports issued during the period, the Office of Inspector General made audit recommendations that, when implemented by management, could result in $134.6 million being put to better use. Management committed to taking corrective actions which the Office of Inspector General estimates will result in a more efficient use of funds totaling $333.2 million. Office of Inspector General investigations led to 6 criminal convictions and 1 pretrial diversion, as well as criminal and civil prosecutions which resulted in fines and recoveries of $10,942,714. The Office of Inspector General also provided 33 investigative referrals to management for recommended positive action.

  8. NRC regulatory agenda: Semiannual report, July--December 1996. Volume 15, Number 2

    SciTech Connect

    1997-03-01

    The NRC Regulatory Agenda is a compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and all petitions for rulemaking which have been received by the Commission and are pending disposition by the Commission. The Regulatory Agenda is updated and issued semiannually.

  9. Inspector General's Semiannual Report to Congress, No. 55. April 1, 2007-September 30, 2007

    ERIC Educational Resources Information Center

    US Department of Education, 2007

    2007-01-01

    This semiannual report to Congress on the activities and accomplishments of the Office of Inspector General (OIG), U.S. Department of Education (Department) from April 1, 2007, through September 30, 2007, highlights the audits, inspections, investigations, and other activities to illustrate an ongoing commitment to promoting accountability,…

  10. Unconventional gas recovery program. Semi-annual report for the period ending September 30, 1979

    SciTech Connect

    Manilla, R.D.

    1980-04-01

    This document is the third semi-annual report describing the technical progress of the US DOE projects directed at gas recovery from unconventional sources. Currently the program includes Methane Recovery from Coalbeds Project, Eastern Gas Shales Project, Western Gas Sands Project, and Geopressured Aquifers Project.

  11. Annual and semi-annual cycle of equatorial Atlantic circulation associated with basin mode resonance

    NASA Astrophysics Data System (ADS)

    Brandt, Peter; Claus, Martin; Greatbatch, Richard J.; Kopte, Robert; Toole, John M.; Johns, William E.; Böning, Claus W.

    2016-04-01

    Seasonal variability of the tropical Atlantic circulation is dominated by the annual cycle, but semi-annual variability is also pronounced, despite weak forcing at that period. Here we use multi-year, full depth velocity measurements from the central equatorial Atlantic to analyze the vertical structure of annual and semi-annual variations of zonal velocity. A baroclinic modal decomposition finds that the annual cycle is dominated by the 4th mode and the semi-annual cycle by the 2nd mode. Similar local behavior is found in a high-resolution general circulation model. This simulation reveals that the annual and semi-annual cycles of the respective dominant baroclinic modes are associated with characteristic basin-wide structures. Using an idealized linear reduced-gravity model to simulate the dynamics of individual baroclinic modes, it is shown that the observed circulation variability can be best explained by resonant equatorial basin modes. Companion simulations using the reduced-gravity model varying the basin geometry, i.e. square basin versus realistic coastlines, and forcing, i.e. spatially uniform versus spatially varying wind forcing, show a structural robustness of the simulated basin modes. A main focus of this study is the seasonal variability of the Equatorial Undercurrent (EUC) as identified in recent observational studies. Main characteristics of the observed EUC including seasonal variability of transport, core depth, and maximum core velocity can be explained by the linear superposition of the dominant equatorial basin modes as obtained from the reduced-gravity model.

  12. Fusion materials semiannual progress report for period ending December 31, 1999

    SciTech Connect

    Burn, G.

    2000-03-01

    This is the twenty-seventh in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components.

  13. A D-π-A1-π-A2 push-pull small molecule donor for solution processed bulk heterojunction organic solar cells.

    PubMed

    Gautam, Prabhat; Misra, Rajneesh; Biswas, Subhayan; Sharma, Ganesh D

    2016-05-18

    Herein, benzothiadiazole (BTD), as an acceptor A1, has been used as a backbone to link triphenylamine (TPA) as donor and naphthalimide (NPI) as acceptor (A2) moieties through ethylene linkers to design a small molecule. The donor-π-acceptor-π-acceptor (D-π-A1-π-A2) type small molecule denoted as was synthesized. In order to use it as an electron donor for solution processed bulk heterojunction small molecule solar cells its photonic and electronic properties were explored. The small molecule organic solar cells based on the optimized blend of with PC71BM processed in chloroform showed a power conversion efficiency (PCE) of 2.21%, which was significantly improved up to 6.67%, when a two-step annealing (TSA) treated blend was used as an active layer. The increase in the PCE was due to the enhancement in both Jsc and FF. The improvement in Jsc was related to the enhancement in the light harvesting efficiency of a TSA treated active layer relative to the as-cast layer, which is reflected in a better IPCE and better charge collection. The TSA treatment also leads to better nanoscale morphology for exciton dissociation into free charge carriers and improved crystallinity for balanced charge transport.

  14. Modeling the Impact and Costs of Semiannual Mass Drug Administration for Accelerated Elimination of Lymphatic Filariasis

    PubMed Central

    de Vlas, Sake J.; Fischer, Peter U.; Weil, Gary J.; Goldman, Ann S.

    2013-01-01

    The Global Program to Eliminate Lymphatic Filariasis (LF) has a target date of 2020. This program is progressing well in many countries. However, progress has been slow in some countries, and others have not yet started their mass drug administration (MDA) programs. Acceleration is needed. We studied how increasing MDA frequency from once to twice per year would affect program duration and costs by using computer simulation modeling and cost projections. We used the LYMFASIM simulation model to estimate how many annual or semiannual MDA rounds would be required to eliminate LF for Indian and West African scenarios with varied pre-control endemicity and coverage levels. Results were used to estimate total program costs assuming a target population of 100,000 eligibles, a 3% discount rate, and not counting the costs of donated drugs. A sensitivity analysis was done to investigate the robustness of these results with varied assumptions for key parameters. Model predictions suggested that semiannual MDA will require the same number of MDA rounds to achieve LF elimination as annual MDA in most scenarios. Thus semiannual MDA programs should achieve this goal in half of the time required for annual programs. Due to efficiency gains, total program costs for semiannual MDA programs are projected to be lower than those for annual MDA programs in most scenarios. A sensitivity analysis showed that this conclusion is robust. Semiannual MDA is likely to shorten the time and lower the cost required for LF elimination in countries where it can be implemented. This strategy may improve prospects for global elimination of LF by the target year 2020. PMID:23301115

  15. The Importance of End Groups for Solution-Processed Small-Molecule Bulk-Heterojunction Photovoltaic Cells.

    PubMed

    Duan, Ruomeng; Cui, Yong; Zhao, Yanfei; Li, Chen; Chen, Long; Hou, Jianhui; Wagner, Manfred; Baumgarten, Martin; He, Chang; Müllen, Klaus

    2016-05-10

    End groups in small-molecule photovoltaic materials are important owing to their strong influence on molecular stability, solubility, energy levels, and aggregation behaviors. In this work, a series of donor-acceptor pentads (D2 -A-D1 -A-D2 ) were designed and synthesized, aiming to investigate the effect of the end groups on the materials properties and photovoltaic device performance. These molecules share identical central A-D1 -A triads (with benzodithiophene as D1 and 6-carbonyl-thieno[3,4-b]thiophene as A), but with various D2 end groups composed of alkyl-substituted thiophene (T), thieno[3,2-b]thiophene (TT), and 2,2'-bithiophene (BT). The results indicate a relationship between conjugated segment/alkyl chain length of the end groups and the photovoltaic performance, which contributes to the evolving molecular design principles for high efficiency organic solar cells.

  16. Solution-processed small molecule-polymer blend organic thin-film transistors with hole mobility greater than 5 cm2/Vs.

    PubMed

    Smith, Jeremy; Zhang, Weimin; Sougrat, Rachid; Zhao, Kui; Li, Ruipeng; Cha, Dongkyu; Amassian, Aram; Heeney, Martin; McCulloch, Iain; Anthopoulos, Thomas D

    2012-05-08

    Using phase-separated organic semiconducting blends containing a small molecule, as the hole transporting material, and a conjugated amorphous polymer, as the binder material, we demonstrate solution-processed organic thin-film transistors with superior performance characteristics that include; hole mobility >5 cm(2) /Vs, current on/off ratio ≥10(6) and narrow transistor parameter spread. These exceptional characteristics are attributed to the electronic properties of the binder polymer and the advantageous nanomorphology of the blend film.

  17. [Endothelial cell adhesion molecules].

    PubMed

    Ivanov, A N; Norkin, I A; Puchin'ian, D M; Shirokov, V Iu; Zhdanova, O Iu

    2014-01-01

    The review presents current data concerning the functional role of endothelial cell adhesion molecules belonging to different structural families: integrins, selectins, cadherins, and the immunoglobulin super-family. In this manuscript the regulatory mechanisms and factors of adhesion molecules expression and distribution on the surface of endothelial cells are discussed. The data presented reveal the importance of adhesion molecules in the regulation of structural and functional state of endothelial cells in normal conditions and in pathology. Particular attention is paid to the importance of these molecules in the processes of physiological and pathological angiogenesis, regulation of permeability of the endothelial barrier and cell transmigration.

  18. The stratopause semiannual oscillation in the NCAR Community Climate Model

    NASA Technical Reports Server (NTRS)

    Sassi, Fabrizio; Garcia, Roland R.; Boville, Byron A.

    1993-01-01

    The middle atmospheric version of the NCAR Community Climate Model (CCM2) has been used to study the development of the equatorial semiannual oscillation (SAO) in the stratosphere. The model domain extends from the ground to about 80 km, with a vertical resolution of 1 km. Transport of nitrous oxide (N2O) with simplified photochemistry is included in the calculation to illustrate the influence of tropical circulations on the distribution of trace species. Diagnosis of model output reveals two distinct phases in the evolution of the zonal mean state on the equator. In early December, a strong and broad easterly jet appears near the stratopause in connection with a midlatitude wave event (sudden stratospheric warming) that reverses the winter westerlies of the Northern Hemisphere throughout the upper stratosphere. When the wave forcing dies out, the radiative drive allows the westerlies to recover at midlatitudes, while easterlies persist in the tropics. The resulting strong meridional gradient of the zonal mean wind provides favorable conditions for the development of inertial instability at lower latitudes. The meridional circulation associated with the instability shapes the 'nose' of the easterly jet, reducing the extension of the unstable region. In equinoctial conditions, a jet of westerlies appears in the lower equatorial mesosphere and descends to lower altitudes; positive accelerations associated with the descending westerlies are due primarily to Kelvin waves. The descent of the westerly jet does not reproduce well the observed behavior of the SAO westerly phase, either in amplitude or in the extent of downward propagation. As a consequence, the model does not simulate the 'double peak' observed in the tropical distribution of N2O. Comparison of wave amplitudes in the model with those derived from satellite observations shows that the calculated amplitudes are larger than observed in the upper stratosphere. It follows that inadequate Kelvin wave forcing is

  19. Proteasome subtypes and regulators in the processing of antigenic peptides presented by class I molecules of the major histocompatibility complex.

    PubMed

    Vigneron, Nathalie; Van den Eynde, Benoît J

    2014-11-18

    The proteasome is responsible for the breakdown of cellular proteins. Proteins targeted for degradation are allowed inside the proteasome particle, where they are cleaved into small peptides and released in the cytosol to be degraded into amino acids. In vertebrates, some of these peptides escape degradation in the cytosol, are loaded onto class I molecules of the major histocompatibility complex (MHC) and displayed at the cell surface for scrutiny by the immune system. The proteasome therefore plays a key role for the immune system: it provides a continued sampling of intracellular proteins, so that CD8-positive T-lymphocytes can kill cells expressing viral or tumoral proteins. Consequently, the repertoire of peptides displayed by MHC class I molecules at the cell surface depends on proteasome activity, which may vary according to the presence of proteasome subtypes and regulators. Besides standard proteasomes, cells may contain immunoproteasomes, intermediate proteasomes and thymoproteasomes. Cells may also contain regulators of proteasome activity, such as the 19S, PA28 and PA200 regulators. Here, we review the effects of these proteasome subtypes and regulators on the production of antigenic peptides. We also discuss an unexpected function of the proteasome discovered through the study of antigenic peptides: its ability to splice peptides.

  20. Asymmetrical Squaraines Bearing Fluorine-Substituted Indoline Moieties for High-Performance Solution-Processed Small-Molecule Organic Solar Cells.

    PubMed

    Yang, Daobin; Yang, Lin; Huang, Yan; Jiao, Yan; Igarashi, Tsukasa; Chen, Yao; Lu, Zhiyun; Pu, Xuemei; Sasabe, Hisahiro; Kido, Junji

    2015-06-24

    Two novel asymmetrical squaraines based on the indoline unit, ASQ-5-F and ASQ-5-DF, with one and two fluorine substituents, have been developed to investigate the effect of fluorine substituted on small-molecule bulk-heterojunction (BHJ) organic solar cells (OSCs). In comparison with non-fluorine-substituted ASQ-5, both fluorine-substituted ASQ-5-F and ASQ-5-DF possess analogous absorption band gaps but 0.05 and 0.10 eV lowered highest occupied molecular orbital (HOMO) energy levels, respectively. Single-crystal analysis exhibits that ASQ-5-DF shows more desirable intermolecular packing patterns for the hole-carrier collection than ASQ-5 does; hence, higher hole mobility could be acquired. Therefore, solution-processed small-molecule BHJ OSCs fabricated with ASQ-5-F/PC71BM and ASQ-5-DF/PC71BM blends exhibit extremely higher power conversion efficiency (PCE; 5.0% and 6.0%, respectively) than that of ASQ-5/PC71BM (4.5%). The much improved PCE could be attributed to the simultaneously enhanced Voc, Jsc, and FF relative to those of the ASQ-5-based device. To our knowledge, this is the highest PCE (6.0%) among squaraine-based solution-processed BHJ OSCs and the highest PCE in OSCs based on the fluorinated donor segment of small molecules.

  1. Of Molecules and Models.

    ERIC Educational Resources Information Center

    Brinner, Bonnie

    1992-01-01

    Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

  2. In situ study of the state of lysozyme molecules at the very early stage of the crystallization process by small-angle X-ray scattering

    NASA Astrophysics Data System (ADS)

    Marchenkova, M. A.; Volkov, V. V.; Blagov, A. E.; Dyakova, Yu. A.; Ilina, K. B.; Tereschenko, E. Yu.; Timofeev, V. I.; Pisarevsky, Yu. V.; Kovalchuk, M. V.

    2016-01-01

    The molecular state of hen egg white lysozyme in solution has been studied by small-angle X-ray scattering (SAXS) combined with molecular simulation. The addition of a precipitant is shown to change the state of the protein molecules in solution. The SAXS data were processed using the constructed models of different oligomers. Under the crystallization conditions, lysozyme is shown to be present in solution as monomers (96.0%), dimers (1.9%), and octamers (2.1%), whereas tetramers and hexamers are not found. The modeled structure of the octamer is not consistent with the commonly accepted unit cell containing eight lysozyme molecules. Meanwhile, the modeled octamers are well-fitted to the crystal structure and can serve as building blocks in the course of crystal growth.

  3. Non-adiabatic processes in the charge transfer reaction of O{sub 2} molecules with potassium surfaces without dissociation

    SciTech Connect

    Krix, David; Nienhaus, Hermann

    2014-08-21

    Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K{sub 2}O{sub 2} is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period.

  4. Characterization of the Antigen Processing Machinery and Endogenous Peptide Presentation of a Bat MHC Class I Molecule.

    PubMed

    Wynne, James W; Woon, Amanda P; Dudek, Nadine L; Croft, Nathan P; Ng, Justin H J; Baker, Michelle L; Wang, Lin-Fa; Purcell, Anthony W

    2016-06-01

    Bats are a major reservoir of emerging and re-emerging infectious diseases, including severe acute respiratory syndrome-like coronaviruses, henipaviruses, and Ebola virus. Although highly pathogenic to their spillover hosts, bats harbor these viruses, and a large number of other viruses, with little or no clinical signs of disease. How bats asymptomatically coexist with these viruses is unknown. In particular, little is known about bat adaptive immunity, and the presence of functional MHC molecules is mostly inferred from recently described genomes. In this study, we used an affinity purification/mass spectrometry approach to demonstrate that a bat MHC class I molecule, Ptal-N*01:01, binds antigenic peptides and associates with peptide-loading complex components. We identified several bat MHC class I-binding partners, including calnexin, calreticulin, protein disulfide isomerase A3, tapasin, TAP1, and TAP2. Additionally, endogenous peptide ligands isolated from Ptal-N*01:01 displayed a relatively broad length distribution and an unusual preference for a C-terminal proline residue. Finally, we demonstrate that this preference for C-terminal proline residues was observed in Hendra virus-derived peptides presented by Ptal-N*01:01 on the surface of infected cells. To our knowledge, this is the first study to identify endogenous and viral MHC class I ligands for any bat species and, as such, provides an important avenue for monitoring and development of vaccines against major bat-borne viruses both in the reservoir and spillover hosts. Additionally, it will provide a foundation to understand the role of adaptive immunity in bat antiviral responses.

  5. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  6. Modeling Molecules

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

  7. Mobius Molecules

    ERIC Educational Resources Information Center

    Eckert, J. M.

    1973-01-01

    Discusses formation of chemical molecules via Mobius strip intermediates, and concludes that many special physics-chemical properties of the fully closed circular form (1) of polyoma DNA are explainable by this topological feature. (CC)

  8. Office of Inspector General semiannual report to Congress, October 1, 1996--March 31, 1997

    SciTech Connect

    1997-04-01

    This Office of Inspector General Semiannual Report to the Congress covers the period from October 1, 1996, through March 31, 1997. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. Narratives of the most significant reports are grouped by measures which the Office of Inspector General uses to gauge its performance. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. Five such performance measures were used during this semiannual period to present outcomes of Office of Inspector General work in terms of improvements in Department programs and operations.

  9. Enumerating molecules.

    SciTech Connect

    Visco, Donald Patrick, Jr.; Faulon, Jean-Loup Michel; Roe, Diana C.

    2004-04-01

    This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

  10. National Institute for Global Environmental Change. Semi-annual report, July 1, 1991--December 31, 1991

    SciTech Connect

    Werth, G.C.

    1992-04-01

    This document is the Semi-Annual Report of the National Institute for Global Environmental Change for the reporting period July 1 to December 31, 1991. The report is in two parts. Part I presents the mission of the Institute, examples of progress toward that mission, a brief description of the revised management plan, and the financial report. Part II presents the statements of the Regional Center Directors along with progress reports of the projects written by the researchers themselves.

  11. Semiannual Report to Congress on the Effectiveness of the Civil Aviation Security Program.

    DTIC Science & Technology

    1986-05-30

    and airport security measures in effect. Section V of this report provides a smry of firearms which were detected at screening points under suspicious...with the Secretary of State concerning threats, and (3) the inclusion of a sumnmary on foreign airport security in the Semiannual Report to Congress on...International Civil Aviation Organization (ICAO) to embark inediately upon an intensified program aimed at responding to the need for enhanced airport security . As

  12. Single-Molecule Imaging Reveals Aβ42:Aβ40 Ratio-Dependent Oligomer Growth on Neuronal Processes

    PubMed Central

    Johnson, Robin D.; Schauerte, Joseph A.; Chang, Chun-Chieh; Wisser, Kathleen C.; Althaus, John Christian; Carruthers, Cynthia J.L.; Sutton, Michael A.; Steel, Duncan G.; Gafni, Ari

    2013-01-01

    Soluble oligomers of the amyloid-β peptide have been implicated as proximal neurotoxins in Alzheimer’s disease. However, the identity of the neurotoxic aggregate(s) and the mechanisms by which these species induce neuronal dysfunction remain uncertain. Physiologically relevant experimentation is hindered by the low endogenous concentrations of the peptide, the metastability of Aβ oligomers, and the wide range of observed interactions between Aβ and biological membranes. Single-molecule microscopy represents one avenue for overcoming these challenges. Using this technique, we find that Aβ binds to primary rat hippocampal neurons at physiological concentrations. Although amyloid-β(1–40) as well as amyloid-β(1–42) initially form larger oligomers on neurites than on glass slides, a 1:1 mix of the two peptides result in smaller neurite-bound oligomers than those detected on-slide or for either peptide alone. With 1 nM peptide in solution, Aβ40 oligomers do not grow over the course of 48 h, Aβ42 oligomers grow slightly, and oligomers of a 1:1 mix grow substantially. Evidently, small Aβ oligomers are capable of binding to neurons at physiological concentrations and grow at rates dependent on local Aβ42:Aβ40 ratios. These results are intriguing in light of the increased Aβ42:Aβ40 ratios shown to correlate with familial Alzheimer’s disease mutations. PMID:23442968

  13. Development of a Sample Processing System (SPS) for the in situ search of organic compounds on Mars : application to the Mars Organic Molecule Analyzer (MOMA) experiment

    NASA Astrophysics Data System (ADS)

    Buch, A.; Sternberg, R.; Garnier, C.; Fressinet, C.; Szopa, C.; El Bekri, J.; Coll, P.; Rodier, C.; Raulin, F.; Goesmann, F.

    2008-09-01

    The search for past or present life signs is one of the primary goals of the future Mars exploratory missions. With this aim the Mars Organic Molecule Analyzer (MOMA) module of the ExoMars 2013 next coming European space mission is designed to the in situ analysis, in the Martian soil, of organic molecules of exobiological interest such as amino acids, carboxylic acids, nucleobases or polycyclic aromatic hydrocarbons (PAHs). In the frame of the MOMA experiment we have been developing a Sample Processing System (SPS) compatible with gas chromatography (GC) analysis. The main goal of SPS is to allow the extraction and the gas chromatography separation of the refractory organic compounds from a solid matrix at trace level within space compatible operating conditions. The SPS is a mini-reactor, containing the solid sample (~500mg), able to increase (or decrease) the internal temperature from 20 to 500 °C within 13 sec. The extraction step is therefore performed by using thermodesorption, the best yield of extraction being obtained at 300°C for 10 to 20 min. It has to be noticed that the temperature could be increased up to 500°C without a significant lost of efficiency if the heating run time is kept below 3 min. After the thermodesorption the chemical derivatization of the extracted compounds is performed directly on the soil with a mixture of MTBSTFA and DMF [buch et al.]. By decreasing the polarity of the target molecules, this step allows their volatilization at a temperature below 250°C without any chemical degradation. Once derivatized, the targeted volatile molecules are transferred through a heated transfer line in the gas chromatograph coupled with a mass spectrometer for the detection. The SPS is a "one step/one pot" sample preparation system which should allow the MOMA experiment to detect the refractory molecules absorbed in the Martian soil at a detection limit below the ppb level. A. Buch, R. Sternberg, C. Szopa, C. Freissinet, C. Garnier, J. El Bekri

  14. Annual and semiannual variations of the geomagnetic field at equatorial locations

    NASA Astrophysics Data System (ADS)

    Campbell, W. H.

    1981-06-01

    The annual and semiannual variations of the quiet-sun year (1965) geomagnetic field are examined using geomagnetic records obtained from observatories located between about 0 and 30 deg N geomagnetic latitude. Three separate contributions are analyzed: (1) the quiet-day midnight level (MDT), (2) the solar-quiet daily variation (Sq), and (3) the quiet-time lunar semidiurnal tidal variation (L). Methods of three recent studies (Campbell, 1980a, 1980b) are used to emphasize the equatorial features, and the differences in the seasonal amplitude and phase changes, obtained from a Fourier analysis of annual and semiannual components in the three orthogonal magnetic-field directions, are illustrated. Conclusions are presented, including: (1) the equatorial MDT variations of the northward and vertical components at quiet periods seem to represent the expected seasonal nighttime magnetospheric distortions, (2) the seasonal equatorial region Sq follows closely the annual and semiannual patterns expected to be caused by ionospheric conductivity and heating variations that give rise to a dynamo current at E-region heights, and (3) the lunar seasonal variations show characteristics of dayside ionospheric electrojet origin.

  15. A spray-coating process for highly conductive silver nanowire networks as the transparent top-electrode for small molecule organic photovoltaics

    NASA Astrophysics Data System (ADS)

    Selzer, Franz; Weiß, Nelli; Kneppe, David; Bormann, Ludwig; Sachse, Christoph; Gaponik, Nikolai; Eychmüller, Alexander; Leo, Karl; Müller-Meskamp, Lars

    2015-01-01

    We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □-1 at 87.4% transparency (80.0% with substrate). By spraying our novel AgNW dispersion in air onto the vacuum-processed organic p-i-n type solar cells, we obtain working solar cells with a power conversion efficiency (PCE) of 1.23%, compared to the air exposed reference devices employing thermally evaporated thin metal layers as the top-electrode.We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □-1 at 87

  16. HANFORD SITE AIR OPERATING PERMIT SEMIANNUAL REPORT FOR THE PERIOD 07/01/2004 THRU 12/31/2004

    SciTech Connect

    GREEN, W.E.

    2005-01-19

    The Hanford Site Air Operating Permit (AOP), Number 00-05-006, became effective on July 2, 2001. One condition contained in the AOP, ''Standard Terms and Conditions'', Section 4.3.3, is the requirement to submit semiannual reports by March 15th and September 15th each year, which are certified for truth, accuracy, and completeness by a Responsible Official. This semiannual report contains information from July 1, 2004 through December 31, 2004. Copies of semiannual reports are transmitted to the Washington State Department of Ecology (Ecology). the Washington State Department of Health (WDOH), the Benton Clean Air Authority (BCAA), and the US Environmental Protection Agency (EPA), Region 10. For the applicable reporting period, AOP, ''Standard Terms and Conditions'', Section 4.3.3, as amended in August 2002 and December 2002, identifies the following. (1) Each semiannual report will provide a reference to deviation reports submitted to the regulatory agencies as required by Section 4.5. ''Permit Deviation Reporting''. (2) Each semiannual report will consist of reports of any required monitoring not submitted previously to the agencies or a reference to reports of required monitoring submitted during the reporting period. (3) Each semiannual report will contain a summary of any substantiated air emission complaint investigation(s) required in Table 1.2 of AOP, Attachment 1, and issued during the reporting period. (4) For all minor radioactive emission points (potential to emit <0.1 mrem to the maximally exposed individual) listed in AOP, Attachment 2. Tables 1.2. 1.3, and 2.1, each semiannual report will confirm that any required monitoring was conducted to verify low emissions during the reporting period. Data derived from that monitoring will be reported in the Annual National Emission Standards for Hazardous Air Pollutants (NESHAP) Report (AOP, ''Standard Terms and Conditions'', Section 4.3.1). AOP requirement is for annual monitoring (e.g., four 1 week samples

  17. Negative ions of polyatomic molecules.

    PubMed Central

    Christophorou, L G

    1980-01-01

    In this paper general concepts relating to, and recent advances in, the study of negative ions of polyatomic molecules area discussed with emphasis on halocarbons. The topics dealt with in the paper are as follows: basic electron attachment processes, modes of electron capture by molecules, short-lived transient negative ions, dissociative electron attachment to ground-state molecules and to "hot" molecules (effects of temperature on electron attachment), parent negative ions, effect of density, nature, and state of the medium on electron attachment, electron attachment to electronically excited molecules, the binding of attached electrons to molecules ("electron affinity"), and the basic and the applied significance of negative-ion studies. PMID:7428744

  18. Negative ions of polyatomic molecules.

    PubMed

    Christophorou, L G

    1980-06-01

    In this paper general concepts relating to, and recent advances in, the study of negative ions of polyatomic molecules area discussed with emphasis on halocarbons. The topics dealt with in the paper are as follows: basic electron attachment processes, modes of electron capture by molecules, short-lived transient negative ions, dissociative electron attachment to ground-state molecules and to "hot" molecules (effects of temperature on electron attachment), parent negative ions, effect of density, nature, and state of the medium on electron attachment, electron attachment to electronically excited molecules, the binding of attached electrons to molecules ("electron affinity"), and the basic and the applied significance of negative-ion studies.

  19. Estimating equilibrium ensemble averages using multiple time slices from driven nonequilibrium processes: theory and application to free energies, moments, and thermodynamic length in single-molecule pulling experiments.

    PubMed

    Minh, David D L; Chodera, John D

    2011-01-14

    Recently discovered identities in statistical mechanics have enabled the calculation of equilibrium ensemble averages from realizations of driven nonequilibrium processes, including single-molecule pulling experiments and analogous computer simulations. Challenges in collecting large data sets motivate the pursuit of efficient statistical estimators that maximize use of available information. Along these lines, Hummer and Szabo developed an estimator that combines data from multiple time slices along a driven nonequilibrium process to compute the potential of mean force. Here, we generalize their approach, pooling information from multiple time slices to estimate arbitrary equilibrium expectations. Our expression may be combined with estimators of path-ensemble averages, including existing optimal estimators that use data collected by unidirectional and bidirectional protocols. We demonstrate the estimator by calculating free energies, moments of the polymer extension, the thermodynamic metric tensor, and the thermodynamic length in a model single-molecule pulling experiment. Compared to estimators that only use individual time slices, our multiple time-slice estimators yield substantially smoother estimates and achieve lower variance for higher-order moments.

  20. New benzo[1,2-b:4,5-b']dithiophene-based small molecules containing alkoxyphenyl side chains for high efficiency solution-processed organic solar cells.

    PubMed

    Du, Zhengkun; Chen, Weichao; Wen, Shuguang; Qiao, Shanlin; Liu, Qian; Ouyang, Dan; Wang, Ning; Bao, Xichang; Yang, Renqiang

    2014-12-01

    A new acceptor-donor-acceptor (A-D-A) small molecule, namely, BDT-PO-DPP, based on the alkoxyphenyl (PO)-substituted benzo[1,2-b:4,5-b']dithiophene (BDT) derivative and the diketopyrrolopyrrole (DPP) unit was synthesized as an electron donor for solution-processed small-molecule organic solar cells (SMOSCs). BDT-PO-DPP exhibited good thermal stability, with a 5 % weight-lost temperature at 401 °C under a nitrogen atmosphere. BDT-PO-DPP exhibited a lower HOMO energy level of -5.25 eV and a weaker aggregation ability than alkoxy-substituted BDT-O-DPP. A bulk heterojunction SMOSC device based on BDT-PO-DPP and [6,6]-phenyl-C61 -butyric acid methyl ester was prepared, and it showed a power conversion efficiency up to 5.63% with a high open-circuit voltage of 0.83 V, a short circuit current density of 11.23 mA cm(-2) , and a fill factor of 60.37% by using 1,2-dichlorobenzene as the co-solvent after thermal annealing at 110 °C. The results indicate that the alkoxyphenyl-substituted BDT derivative is a promising electron-donor building block for constructing highly efficient solution-processed SMOSCs.

  1. Nonperturbative treatment of multielectron processes in ion-molecule scattering: Application to He{sup 2+}-H{sub 2} collisions

    SciTech Connect

    Sisourat, Nicolas; Dubois, Alain; Pilskog, Ingjald

    2011-11-15

    We present a nonperturbative theory to describe multielectronic processes occurring in the course of collisions between an ion and a molecule. The approach is based on the expansion of the electronic scattering wave function onto asymptotic mono- or multicenter states with proper translational conditions and includes both static and dynamical electronic correlations. Therefore, it has a wide application range around intermediate impact velocities v{approx_equal}v{sub e}, where v{sub e} is the averaged electron velocity in the initial state. As a first application, we report results on single- and double-electron capture processes in He{sup 2+}-H{sub 2} collisions for impact energies ranging from 0.01 to 25 keV/u. Special emphasis on the prediction of cross sections for double-electron capture into doubly excited states of helium is addressed.

  2. Solar Rotational Periodicities and the Semiannual Variation in the Solar Wind, Radiation Belt, and Aurora

    NASA Technical Reports Server (NTRS)

    Emery, Barbara A.; Richardson, Ian G.; Evans, David S.; Rich, Frederick J.; Wilson, Gordon R.

    2011-01-01

    The behavior of a number of solar wind, radiation belt, auroral and geomagnetic parameters is examined during the recent extended solar minimum and previous solar cycles, covering the period from January 1972 to July 2010. This period includes most of the solar minimum between Cycles 23 and 24, which was more extended than recent solar minima, with historically low values of most of these parameters in 2009. Solar rotational periodicities from S to 27 days were found from daily averages over 81 days for the parameters. There were very strong 9-day periodicities in many variables in 2005 -2008, triggered by recurring corotating high-speed streams (HSS). All rotational amplitudes were relatively large in the descending and early minimum phases of the solar cycle, when HSS are the predominant solar wind structures. There were minima in the amplitudes of all solar rotational periodicities near the end of each solar minimum, as well as at the start of the reversal of the solar magnetic field polarity at solar maximum (approx.1980, approx.1990, and approx. 2001) when the occurrence frequency of HSS is relatively low. Semiannual equinoctial periodicities, which were relatively strong in the 1995-1997 solar minimum, were found to be primarily the result of the changing amplitudes of the 13.5- and 27-day periodicities, where 13.5-day amplitudes were better correlated with heliospheric daily observations and 27-day amplitudes correlated better with Earth-based daily observations. The equinoctial rotational amplitudes of the Earth-based parameters were probably enhanced by a combination of the Russell-McPherron effect and a reduction in the solar wind-magnetosphere coupling efficiency during solstices. The rotational amplitudes were cross-correlated with each other, where the 27 -day amplitudes showed some of the weakest cross-correlations. The rotational amplitudes of the > 2 MeV radiation belt electron number fluxes were progressively weaker from 27- to 5-day periods

  3. Single-molecule Imaging Analysis of Binding, Processive Movement, and Dissociation of Cellobiohydrolase Trichoderma reesei Cel6A and Its Domains on Crystalline Cellulose.

    PubMed

    Nakamura, Akihiko; Tasaki, Tomoyuki; Ishiwata, Daiki; Yamamoto, Mayuko; Okuni, Yasuko; Visootsat, Akasit; Maximilien, Morice; Noji, Hiroyuki; Uchiyama, Taku; Samejima, Masahiro; Igarashi, Kiyohiko; Iino, Ryota

    2016-10-21

    Trichoderma reesei Cel6A (TrCel6A) is a cellobiohydrolase that hydrolyzes crystalline cellulose into cellobiose. Here we directly observed the reaction cycle (binding, surface movement, and dissociation) of single-molecule intact TrCel6A, isolated catalytic domain (CD), cellulose-binding module (CBM), and CBM and linker (CBM-linker) on crystalline cellulose Iα The CBM-linker showed a binding rate constant almost half that of intact TrCel6A, whereas those of the CD and CBM were only one-tenth of intact TrCel6A. These results indicate that the glycosylated linker region largely contributes to initial binding on crystalline cellulose. After binding, all samples showed slow and fast dissociations, likely caused by the two different bound states due to the heterogeneity of cellulose surface. The CBM showed much higher specificity to the high affinity site than to the low affinity site, whereas the CD did not, suggesting that the CBM leads the CD to the hydrophobic surface of crystalline cellulose. On the cellulose surface, intact molecules showed slow processive movements (8.8 ± 5.5 nm/s) and fast diffusional movements (30-40 nm/s), whereas the CBM-Linker, CD, and a catalytically inactive full-length mutant showed only fast diffusional movements. These results suggest that both direct binding and surface diffusion contribute to searching of the hydrolysable point of cellulose chains. The duration time constant for the processive movement was 7.7 s, and processivity was estimated as 68 ± 42. Our results reveal the role of each domain in the elementary steps of the reaction cycle and provide the first direct evidence of the processive movement of TrCel6A on crystalline cellulose.

  4. Diversity in Biological Molecules

    ERIC Educational Resources Information Center

    Newbury, H. John

    2010-01-01

    One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of…

  5. A simple, rapid and cost-effective process for production of latex clearing protein to produce oligopolyisoprene molecules.

    PubMed

    Andler, R; Steinbüchel, A

    2017-01-10

    Aiming at finding feasible alternatives for rubber waste disposal, the partial enzymatic degradation of poly(cis-1,4-isoprene)-containing materials represents a potential solution. The use of rubber-degrading enzymes and the biotransformation of rubber into new materials is limited by the high costs associated with the production and purification of the enzyme and the complexity of the process. This study presents a simple and low-cost procedure to obtain purified latex clearing protein (Lcp), an enzyme capable of cleaving the double bonds of poly(cis-1,4-isoprene) in presence of oxygen to produce different size of oligomers with terminal aldehyde and ketone groups, respectively. The gene coding for Lcp1VH2 from Gordonia polyisoprenivorans strain VH2 was overexpressed in Escherichia coli C41 (DE3), and by using an auto-induction medium high protein yields were obtained. The cultivation process was described and compared with an IPTG-inducible medium previously used. Purification of the enzyme was performed using salting out precipitation with ammonium sulfate. Different salt concentrations and pH were tested in order to find the optimal for purification, obtaining a concentration of 60mg Lcp per l. The enzymatic activity of the purified enzyme was measured by an oxygen consumption assay in the presence of polyisoprene latex. Volumetric activities of 0.16Uml(-1) were obtained at optimal conditions of temperature and pH. The results showed an active and partial purified fraction of Lcp1VH2, able to cleave the backbone of poly(cis-1,4-isoprene) and to produce degradation products that were identified with staining methodologies (Schiff reagent for aldehyde groups and 2,4-DNPH for carbonyl groups) and characterized using nuclear magnetic resonance (NMR). Thirteen different storage conditions were tested for the purified enzyme analyzing the enzymatic activity after 1 and 3 months. Lcp1VH2, as an ammonium sulfate precipitate, was stable, easy to handle and sufficiently

  6. From the Solution Processing of Hydrophilic Molecules to Polymer-Phthalocyanine Hybrid Materials for Ammonia Sensing in High Humidity Atmospheres

    PubMed Central

    Gaudillat, Pierre; Jurin, Florian; Lakard, Boris; Buron, Cédric; Suisse, Jean-Moïse; Bouvet, Marcel

    2014-01-01

    We have prepared different hybrid polymer-phthalocyanine materials by solution processing, starting from two sulfonated phthalocyanines, s-CoPc and CuTsPc, and polyvinylpyrrolidone (PVP), polyethylene glycol (PEG), poly(acrylic acid-co-acrylamide) (PAA-AM), poly(diallyldimethylammonium chloride) (PDDA) and polyaniline (PANI) as polymers. We also studied the response to ammonia (NH3) of resistors prepared from these sensing materials. The solvent casted films, prepared from s-CoPc and PVP, PEG and PAA-AM, were highly insulating and very sensitive to the relative humidity (RH) variation. The incorporation of s-CoPc in PDDA by means of layer-by-layer (LBL) technique allowed to stabilize the film, but was too insulating to be interesting. We also prepared PANI-CuTsPc hybrid films by LBL technique. It allowed a regular deposition as evidenced by the linear increase of the absorbance at 688 nm as a function of the number of bilayers. The sensitivity to ammonia (NH3) of PANi-CuTsPc resistors was very high compared to that of individual materials, giving up to 80% of current decrease when exposed to 30 ppm NH3. Contrarily to what happens with neutral polymers, in PANI, CuTsPc was stabilized by strong electrostatic interactions, leading to a stable response to NH3, whatever the relative humidity in the range 10%–70%. Thus, the synergy of PANI with ionic macrocycles used as counteranions combined with their simple aqueous solution processing opens the way to the development of new gas sensors capable of operating in real world conditions. PMID:25061841

  7. From the solution processing of hydrophilic molecules to polymer-phthalocyanine hybrid materials for ammonia sensing in high humidity atmospheres.

    PubMed

    Gaudillat, Pierre; Jurin, Florian; Lakard, Boris; Buron, Cédric; Suisse, Jean-Moïse; Bouvet, Marcel

    2014-07-24

    We have prepared different hybrid polymer-phthalocyanine materials by solution processing, starting from two sulfonated phthalocyanines, s-CoPc and CuTsPc, and polyvinylpyrrolidone (PVP), polyethylene glycol (PEG), poly(acrylic acid-co-acrylamide) (PAA-AM), poly(diallyldimethylammonium chloride) (PDDA) and polyaniline (PANI) as polymers. We also studied the response to ammonia (NH3) of resistors prepared from these sensing materials. The solvent casted films, prepared from s-CoPc and PVP, PEG and PAA-AM, were highly insulating and very sensitive to the relative humidity (RH) variation. The incorporation of s-CoPc in PDDA by means of layer-by-layer (LBL) technique allowed to stabilize the film, but was too insulating to be interesting. We also prepared PANI-CuTsPc hybrid films by LBL technique. It allowed a regular deposition as evidenced by the linear increase of the absorbance at 688 nm as a function of the number of bilayers. The sensitivity to ammonia (NH3) of PANi-CuTsPc resistors was very high compared to that of individual materials, giving up to 80% of current decrease when exposed to 30 ppm NH3. Contrarily to what happens with neutral polymers, in PANI, CuTsPc was stabilized by strong electrostatic interactions, leading to a stable response to NH3, whatever the relative humidity in the range 10%-70%. Thus, the synergy of PANI with ionic macrocycles used as counteranions combined with their simple aqueous solution processing opens the way to the development of new gas sensors capable of operating in real world conditions.

  8. Formation of hexagonal boron nitride nanoscrolls induced by inclusion and exclusion of self-assembling molecules in solution process

    NASA Astrophysics Data System (ADS)

    Hwang, Da Young; Suh, Dong Hack

    2014-05-01

    Unlike nanoscrolls of 2D graphene, those of 2D h-BN have not been demonstrated, except for only a few experimental reports. Nanoscrolls of h-BN with high yields and reproducibility are first synthesized by a simple solution process. Inner-tube diameters of BNSs including LCAs, N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide, a bile acid derivative and self-assembling material, can be controlled by adjusting the diameter of the LCA fiber which is grown by self-assembly. TEM and SEM images show that BNSs have a tube-like morphology and the inner-tube diameter of BNSs can be controlled in the range from 20 to 60 nm for a smaller diameter, up to 300 nm for a larger diameter by LCA fiber growth inside the BNSs. Finally, open cylindrical BNSs with hollow cores were obtained by dissolving LCAs inside BNSs.Unlike nanoscrolls of 2D graphene, those of 2D h-BN have not been demonstrated, except for only a few experimental reports. Nanoscrolls of h-BN with high yields and reproducibility are first synthesized by a simple solution process. Inner-tube diameters of BNSs including LCAs, N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide, a bile acid derivative and self-assembling material, can be controlled by adjusting the diameter of the LCA fiber which is grown by self-assembly. TEM and SEM images show that BNSs have a tube-like morphology and the inner-tube diameter of BNSs can be controlled in the range from 20 to 60 nm for a smaller diameter, up to 300 nm for a larger diameter by LCA fiber growth inside the BNSs. Finally, open cylindrical BNSs with hollow cores were obtained by dissolving LCAs inside BNSs. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr00897a

  9. Hanford Site Air Operating Permit Semiannual Report for the period July 21 2001 Thru December 31 2001

    SciTech Connect

    GREEN, W.E.

    2002-02-01

    The Hanford Site Air Operating Permit (AOP), Number 00-05-006, became effective on July 2, 2001. One condition contained in the AOP, ''Standard Terms and Conditions'', Section 4.3.3, is the requirement to submit semiannual reports by March 15th and August 15th each year, which are certified for truth and accuracy by a Responsible Official. This first semiannual report contains information for the period from July 2, 2001 through December 31, 2001. Hereafter, the March 15th semiannual report will contain information for the period from July 1 through December 31. The semiannual report submitted by August 15th will contain information for the period from January 1 through June 30. Copies of the semiannual reports are transmitted to the Washington State Department of Ecology (Ecology), the Washington State Department of Health (WDOH), the Benton Clean Air Authority (BCAA), and the U.S. Environmental Protection Agency (EPA), Region 10. For the applicable reporting period, AOP, ''Standard Terms and Conditions'', Section 4.3.3, identifies the following: (1) Each semiannual report will provide a reference to deviation reports submitted to the regulatory agencies as required by Section 4.5, ''Permit Deviation Reporting''. (2) Each semiannual report will consist of reports of any required monitoring not submitted previously to the agencies or a reference to reports of required monitoring that were submitted during the reporting period. (3) Each semiannual report will contain a summary of any substantiated air emission complaint investigation(s) required in Table 1.2 of AOP, Attachment 1, and issued during the reporting period (4) For all minor radioactive emission points (potential to emit <0.1 mrem to the maximally exposed individual) listed in AOP, Attachment 2. Tables 1.2, 1.3 and 2.1. each semiannual report will confirm that any required monitoring was conducted to verify low emissions during the reporting period. The data derived from that monitoring will be reported

  10. Dynamics of Activated Molecules

    SciTech Connect

    Mullin, Amy S.

    2016-11-16

    Experimental studies have been performed to investigate the collisional energy transfer processes of gas-phase molecules that contain large amounts of internal energy. Such molecules are prototypes for molecules under high temperature conditions relevant in combustion and information about their energy transfer mechanisms is needed for a detailed understanding and modeling of the chemistry. We use high resolution transient IR absorption spectroscopy to measure the full, nascent product distributions for collisions of small bath molecules that relax highly vibrationally excited pyrazine molecules with E=38000 cm-1 of vibrational energy. To perform these studies, we developed new instrumentation based on modern IR light sources to expand our experimental capabilities to investigate new molecules as collision partners. This final report describes our research in four areas: the characterization of a new transient absorption spectrometer and the results of state-resolved collision studies of pyrazine(E) with HCl, methane and ammonia. Through this research we have gained fundamental new insights into the microscopic details of relatively large complex molecules at high energy as they undergo quenching collisions and redistribute their energy.

  11. Enhancement of Performance and Mechanism Studies of All-Solution Processed Small-Molecule based Solar Cells with an Inverted Structure.

    PubMed

    Long, Guankui; Wu, Bo; Yang, Xuan; Kan, Bin; Zhou, Ye-Cheng; Chen, Li-Chuan; Wan, Xiangjian; Zhang, Hao-Li; Sum, Tze Chien; Chen, Yongsheng

    2015-09-30

    Both solution-processed polymers and small molecule based solar cells have achieved PCEs over 9% with the conventional device structure. However, for the practical applications of photovoltaic technology, further enhancement of both device performance and stability are urgently required, particularly for the inverted structure devices, since this architecture will probably be most promising for the possible coming commercialization. In this work, we have fabricated both conventional and inverted structure devices using the same small molecular donor/acceptor materials and compared the performance of both device structures, and found that the inverted structure based device gave significantly improved performance, the highest PCE so far for inverted structure based device using small molecules as the donor. Furthermore, the inverted device shows a remarkable stability with almost no obvious degradation after three months. Systematic device physics and charge generation dynamics studies, including optical simulation, light-intensity-dependent current-voltage experiments, photocurrent density-effective voltage analyses, transient absorption measurements, and electrical simulations, indicate that the significantly enhanced performance using inverted device is ascribed to the increasing of Jsc compared to the conventional device, which in turn is mainly attributed to the increased absorption of photons in the active layers, rather than the reduced nongeminate recombination.

  12. Why are proteins charged molecules? The role of electrostatics in the stability, activity and processing of proteins

    NASA Astrophysics Data System (ADS)

    Carbeck, Jeffrey

    2004-03-01

    Why do proteins typically have a large number of charged (titratable) groups on their surface? What role do these groups play in regulating the strength and specificity of molecular recognition events in biology? Why are many of these groups weakly acidic or basic? Can current models of electrostatics and electrokinetics -- necessary for predictive modeling and rational design -- accurately describe the role of charged groups on the properties and interactions of proteins? In this talk I will address these questions using studies of the physics and physical chemistry of proteins. Specifically, I will describe the combination of protein charge ladders -- collections of protein derivatives that differ incrementally in net charge -- and capillary electrophoresis (CE) as a biophysical tool that measures directly the effects of interactions between charged groups on the properties and interactions of proteins. This approach shows that the combination of a large number of relatively weak electrostatic interactions can play an important role in the energetics of receptor ligand binding, protein folding, and in bio-processing. I will then develop a picture that shows how changes in proton binding between two states of a protein -- native vs. denatured, bound vs. free -- can play a significant role in regulating the energetics of molecular recognition events involving proteins. I will describe a theoretical framework that quantifies the thermodynamic linkage of proton binding to protein folding and protein -- protein interactions. I will show how CE and protein charge ladders measure this thermodynamic linkage for the case of protein folding. Finally, I will describe how we have used Poisson-Boltzmann theory of electrostatics, in combination with statistical mechanical models of proton binding, to predict linkage events in protein folding and protein -- protein interactions.

  13. High-Efficiency Phosphorescent Hybrid Organic-Inorganic Light-Emitting Diodes Using a Solution-Processed Small-Molecule Emissive Layer.

    PubMed

    Fan, Changjun; Lei, Yong; Liu, Zhen; Wang, Ruixue; Lei, Yanlian; Li, Guoqing; Xiong, Zuhong; Yang, Xiaohui

    2015-09-23

    The morphology and optical and electrical properties of solution-processed and vacuum-deposited 4,4',4″-tris(carbazol-9-yl)triphenylamine (TCTA):2,2'-(1,3-phenylene)bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole] (OXD-7) composite films are investigated. All of the films exhibit smooth and pinhole-free morphology, while the evaporated films possess enhanced carrier-transport properties compared to solution-processed ones. The close correlation between the carrier-transport feature and the packing density of the film is established. High-efficiency monochromatic and white phosphorescent hybrid organic-inorganic light-emitting diodes with solution-processed small-molecule emissive layers are reported: the maximum external quantum efficiencies of blue, yellow, and red devices are 18.9, 14.6, and 10.2%, respectively; white devices show a maximum luminance efficiency of 40 cd A(-1) and a power efficiency of 20.8 lm W(-1) at 1000 cd m(-2). The efficiencies of blue, red, and white devices represent significant improvement over previously reported values.

  14. Fusion materials semiannual progress report for the period ending June 30, 1998

    SciTech Connect

    Burn, G.

    1998-09-01

    This is the twenty-fourth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  15. Fusion reactor materials semiannual progress report for the period ending March 31, 1993

    SciTech Connect

    Not Available

    1993-07-01

    This is the fourteenth in a series of semiannual technical progress reports on fusion reactor materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the US Depart of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. Separate abstracts were prepared for each individual section.

  16. Fusion reactor materials: Semiannual progress report for the period ending March 31, 1987

    SciTech Connect

    none,

    1987-09-01

    This is the second in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities in the following areas: (1) Alloy Development for Irradiation Performance; (2) Damage Analysis and Fundamental Studies; and (3) Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. Separate analytics were prepared for the reports in this volume.

  17. Fusion Materials Semiannual Progress Report for Period Ending December 31, 1998

    SciTech Connect

    Rowcliff, A.F.; Burn, G.

    1999-04-01

    This is the twenty-fifth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the U.S. Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately.

  18. Fusion Materials Semiannual Progress Report for the Period Ending June 30, 1999

    SciTech Connect

    Rowcliffe, A.F.

    1999-09-01

    This is the twenty-sixth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and its reported separately.

  19. Collation of monthly and semiannual reports covering instrumentation at the Decade 80 house in Tucson, Arizona

    NASA Technical Reports Server (NTRS)

    1978-01-01

    The Decade 80 solar house, located in Tucson, Arizona, was built to show the use of copper in home building and to demonstrate the use of solar energy to provide space heating and cooling and domestic hot water. The auxiliary energy sources are electrical resistance heating for the domestic hot water and a gas fired boiler for space heating and operation of the absorption air conditioning units. The Semi-Annual report gives an overview of the instrumentation effort with the back-up monthly reports reflecting more detail of the effort that went into the implementation of the data acquisition system.

  20. Donor-Acceptor-Donor Modular Small Organic Molecules Based on the Naphthalene Diimide Acceptor Unit for Solution-Processable Photovoltaic Devices

    NASA Astrophysics Data System (ADS)

    Patil, Hemlata; Gupta, Akhil; Bilic, Ante; Jackson, Sam Leslie; Latham, Kay; Bhosale, Sheshanath V.

    2014-09-01

    Two novel solution-processable small organic molecules, 4,9-bis(4-(diphenylamino)phenyl)-2,7-dioctylbenzo[3,8]phenanthroline-1,3,6,8(2 H,7 H)-tetraone ( S6) and 4,9-bis(benzo[ b]thiophen-2-yl)-2,7-dioctylbenzo[3,8]phenanthroline-1,3,6,8 (2 H,7 H)-tetraone ( S7), have been successfully designed, synthesized, characterized, and applied in solution-processable photovoltaic devices. S6 and S7 contain a common electron-accepting moiety, naphthalene diimide (NDI), with different electron-donating moieties, triphenylamine ( S6) and benzothiophene ( S7), and are based on a donor-acceptor-donor structure. S7 was isolated as black, rod-shaped crystals. Its triclinic structure was determined by single crystal x-ray diffraction (XRD): space group , Z = 2, a = 9.434(5) Å, b = 14.460(7) Å, c = 15.359(8) Å, α = 67.256(9) degrees, β = 80.356(11) degrees, γ = 76.618(10) degrees, at 150 Kelvin (K), R = 0.073. Ultraviolet-visible absorption spectra revealed that use of triphenylamine donor functionality with the NDI acceptor unit resulted in an enhanced intramolecular charge transfer (ICT) transition and reduction of the optical band gap compared with the benzothiophene analogue. Solution-processable inverted bulk heterojunction devices with the structure indium tin oxide/zinc oxide (30 nm)/active layer/molybdenum trioxide (10 nm)/silver (100 nm) were fabricated with S6 and S7 as donors and (6,6)-phenyl C70-butyric acid methyl ester (PC70BM) as acceptor. Power conversion efficiencies of 0.22% for S6/PC70BM and 0.10% for S7/PC70BM were achieved for the preliminary photovoltaic devices under simulated AM 1.5 illumination (100 mW cm-2). This paper reports donor-acceptor-donor modular small organic molecules, with NDI as central accepting unit, that have been screened for use in solution-processable inverted photovoltaic devices.

  1. Vibrational autoionization in polyatomic molecules.

    PubMed

    Pratt, S T

    2005-01-01

    The vibrationally autoionizing Rydberg states of small polyatomic molecules provide a fascinating laboratory in which to study fundamental nonadiabatic processes. In this review, recent results on the vibrational mode dependence of vibrational autoionization are discussed. In general, autoionization rates depend strongly on the character of the normal mode driving the process and on the electronic character of the Rydberg electron. Although quantitative calculations based on multichannel quantum defect theory are available for some polyatomic molecules, including H3, only qualitative information exists for most molecules. This review shows how qualitative information, such as Walsh diagrams along different normal coordinates of the molecule, can provide insight into the vibrational autoionization rates.

  2. Single-molecule visualization of RecQ helicase reveals DNA melting, nucleation, and assembly are required for processive DNA unwinding.

    PubMed

    Rad, Behzad; Forget, Anthony L; Baskin, Ronald J; Kowalczykowski, Stephen C

    2015-12-15

    DNA helicases are motor proteins that unwind double-stranded DNA (dsDNA) to reveal single-stranded DNA (ssDNA) needed for many biological processes. The RecQ helicase is involved in repairing damage caused by DNA breaks and stalled replication forks via homologous recombination. Here, the helicase activity of RecQ was visualized on single molecules of DNA using a fluorescent sensor that directly detects ssDNA. By monitoring the formation and progression of individual unwinding forks, we observed that both the frequency of initiation and the rate of unwinding are highly dependent on RecQ concentration. We establish that unwinding forks can initiate internally by melting dsDNA and can proceed in both directions at up to 40-60 bp/s. The findings suggest that initiation requires a RecQ dimer, and that continued processive unwinding of several kilobases involves multiple monomers at the DNA unwinding fork. We propose a distinctive model wherein RecQ melts dsDNA internally to initiate unwinding and subsequently assembles at the fork into a distribution of multimeric species, each encompassing a broad distribution of rates, to unwind DNA. These studies define the species that promote resection of DNA, proofreading of homologous pairing, and migration of Holliday junctions, and they suggest that various functional forms of RecQ can be assembled that unwind at rates tailored to the diverse biological functions of RecQ helicase.

  3. 49 CFR Appendix C to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to DOT

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...) Uncorrected Flaw (number) 4. Positive Results Reported (total number) By Drug (a) Marijuana Metabolite (number... 49 Transportation 1 2011-10-01 2011-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. C Appendix C to Part 40—DOT Drug...

  4. 49 CFR Appendix B to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to Employers

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... number) By Drug (a) Marijuana Metabolite (number) (b) Cocaine Metabolite (number) (c) Opiates (number) (1... 49 Transportation 1 2011-10-01 2011-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. B Appendix B to Part 40—DOT Drug...

  5. 17 CFR 270.30b1-1 - Semi-annual report for registered management investment companies.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... registered management investment companies. 270.30b1-1 Section 270.30b1-1 Commodity and Securities Exchanges....30b1-1 Semi-annual report for registered management investment companies. Every registered management... management investment company that has filed a registration statement with the Commission registering...

  6. 17 CFR 270.30b1-1 - Semi-annual report for registered management investment companies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... registered management investment companies. 270.30b1-1 Section 270.30b1-1 Commodity and Securities Exchanges....30b1-1 Semi-annual report for registered management investment companies. Every registered management... management investment company that has filed a registration statement with the Commission registering...

  7. Research on Reading in Secondary Schools: A Semi-Annual Report, Volume 2, Number 2. Monograph Number Three.

    ERIC Educational Resources Information Center

    Vaughan, Joseph L., Jr., Ed.; Gaus, Paula J., Ed.

    This monograph is the third in a series of semiannual reports of research related to reading in secondary schools. The first section of the monograph is made up of three research studies on the validation of teaching procedures to facilitate students' comprehension of content area texts, the graph-reading abilities of seventh grade students, and a…

  8. Data Summary Report for the 1997 Semiannual Tritium Survey for Fourmile Branch and the F- and H-Area Seeplines

    SciTech Connect

    Koch, J.W. II

    1998-01-05

    This report presents a summary of the definitive data validation and verification for the 1997 RFI/RI semiannual tritium survey for Fourmile Branch and the F- and H-Area Seeplines. The RFI/RI was performed under the direction of WSRC ESS/Ecology. This report was prepared under the direction EPD/EMS.

  9. Data Summary Report for the 1998 Semiannual Tritium Surveys for Fourmile Branch and the F- and H-Area Seeplines

    SciTech Connect

    Koch, J.

    1999-01-26

    This report presents a summary of the definitive data validation and verification for the 1998 semiannual tritium surveys for Fourmile Branch and the F- and H-Area Seeplines. The project was performed under the direction of WSRC EAS/Ecology. This report was prepared under the direction of EPD/EMS.

  10. Data Summary Report for the Semiannual Tritium Survey for Fourmile Branch and the F- and H-Area Seeplines

    SciTech Connect

    Koch, J. II

    1996-12-16

    This report presents a summary of the definitive data validation and verification for the Semiannual Tritium Survey for Fourmile Branch and the F- and H-Area Seeplines. The survey was performed at the request of the WSRC ERD and conducted by WSRC/ESS. This report was prepared under the direction of EPD/EMS.

  11. 46 CFR Appendix III to Part 390 - U.S. Department of Transportation, Maritime Administration-Sample Semiannual Report

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false U.S. Department of Transportation, Maritime Administration-Sample Semiannual Report III Appendix III to Part 390 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION REGULATIONS UNDER PUBLIC LAW 91-469 CAPITAL CONSTRUCTION FUND Pt. 390, App....

  12. Mobile Energy Laboratory energy-efficiency testing programs. Semiannual report, April 1, 1991--September 30, 1991

    SciTech Connect

    Parker, G. B.; Currie, J. W.

    1992-03-01

    This report summarizes energy-efficiency testing activities applying the Mobile Energy Laboratory (MEL) testing capabilities during the third and fourth quarters of fiscal year (FY) 1991. The MELs, developed by the US Department of Energy (DOE) Federal Energy Management Program (FEMP), are administered by Pacific Northwest Laboratory (PNL) and the Naval Energy and Environmental Support Activity (NEESA) for energy testing and energy conservation program support functions at federal facilities. The using agencies principally fund MEL applications, while DOE/FEMP funds program administration and capability enhancement activities. This report fulfills the requirements established in Section 8 of the MEL Use Plan (PNL-6861) for semi-annual reporting on energy-efficiency testing activities using the MEL capabilities. The MEL Use Committee, formally established in 1989, developed the MEL Use Plan and meets semi-annually to establish priorities for energy-efficient testing applications using the MEL capabilities. The MEL Use Committee is composed of one representative each of the US Department of Energy, US Army, US Air Force, US Navy, and other federal agencies.

  13. MOLECULES IN {eta} CARINAE

    SciTech Connect

    Loinard, Laurent; Menten, Karl M.; Guesten, Rolf; Zapata, Luis A.; Rodriguez, Luis F.

    2012-04-10

    We report the detection toward {eta} Carinae of six new molecules, CO, CN, HCO{sup +}, HCN, HNC, and N{sub 2}H{sup +}, and of two of their less abundant isotopic counterparts, {sup 13}CO and H{sup 13}CN. The line profiles are moderately broad ({approx}100 km s{sup -1}), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO{sup +} do not appear to be underabundant in {eta} Carinae. On the other hand, molecules containing nitrogen or the {sup 13}C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of {eta} Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

  14. The development of coal-based technologies for Department of Defense facilities. Volume 2, Appendices. Semiannual technical progress report, September 28, 1994--March 27, 1995

    SciTech Connect

    Miller, B.G.; Bartley, D.A.; Hatcher, P.

    1996-10-15

    This semiannual progress report contains the following appendices: description of the 1,000 lb steam/h watertube research boiler; the Pennsylvania CGE model; Phase II, subtask 3.9 coal market analysis; the CGE model; and sector definition.

  15. Mind Molecules

    PubMed Central

    Snyder, Solomon H.

    2011-01-01

    Scientific styles vary tremendously. For me, research is largely about the unfettered pursuit of novel ideas and experiments that can test multiple ideas in a day, not a year, an approach that I learned from my mentor Julius “Julie” Axelrod. This focus on creative conceptualizations has been my métier since working in the summers during medical school at the National Institutes of Health, during my two years in the Axelrod laboratory, and throughout my forty-five years at Johns Hopkins University School of Medicine. Equally important has been the “high” that emerges from brainstorming with my students. Nothing can compare with the eureka moments when, together, we sense new insights and, better yet, when high-risk, high-payoff experiments succeed. Although I have studied many different questions over the years, a common theme emerges: simple biochemical approaches to understanding molecular messengers, usually small molecules. Equally important has been identifying, purifying, and cloning the messengers' relevant biosynthetic, degradative, or target proteins, at all times seeking potential therapeutic relevance in the form of drugs. In the interests of brevity, this Reflections article is highly selective, and, with a few exceptions, literature citations are only of findings of our laboratory that illustrate notable themes. PMID:21543333

  16. Effective D-A-D type chromophore of fumaronitrile-core and terminal alkylated bithiophene for solution-processed small molecule organic solar cells

    PubMed Central

    Nazim, M.; Ameen, Sadia; Seo, Hyung-Kee; Shin, Hyung Shik

    2015-01-01

    A new and novel organic π-conjugated chromophore (named as RCNR) based on fumaronitrile-core acceptor and terminal alkylated bithiophene was designed, synthesized and utilized as an electron-donor material for the solution-processed fabrication of bulk-heterojunction (BHJ) small molecule organic solar cells (SMOSCs). The synthesized organic chromophore exhibited a broad absorption peak near green region and strong emission peak due to the presence of strong electron-withdrawing nature of two nitrile (–CN) groups of fumaronitrile acceptor. The highest occupied molecular orbital (HOMO) energy level of –5.82 eV and the lowest unoccupied molecular orbital (LUMO) energy level of –3.54 eV were estimated for RCNR due to the strong electron-accepting tendency of –CN groups. The fabricated SMOSC devices with RCNR:PC60BM (1:3, w/w) active layer exhibited the reasonable power conversion efficiency (PCE) of ~2.69% with high short-circuit current density (JSC) of ~9.68 mA/cm2 and open circuit voltage (VOC) of ~0.79 V. PMID:26066557

  17. Biobased surfactant-like molecules from organic wastes: the effect of waste composition and composting process on surfactant properties and on the ability to solubilize Tetrachloroethene (PCE).

    PubMed

    Quadri, Giorgia; Chen, Xiaosong; Jawitz, James W; Tambone, Fulvia; Genevini, Pierluigi; Faoro, Franco; Adani, Fabrizio

    2008-04-01

    In this work, four surfactant-like humic acids (HAs) obtained from garden lignocellulose wastes and kitchen food wastes mixed with garden-lignocellulose wastes, both before and after composting, were tested for surfactant properties and the ability to solubilize tetrachloroethene (PCE). The waste-derived HAs showed good surfactant properties, lowering the water surface tension from 74 mN m(-1) to 45.4 +/- 4.4 mN m(-1), with a critical micelle concentration (CMC) of 1.54 +/- 1.68 g L(-1), which is lower than many synthetic ionic surfactants. CMC was affected by both waste origin and composting processes. The addition of food waste and composting reduced CMC by adding alkyl-C (measured by CP MAS 13C NMR) and N- and S-HA contents (amide molecules), so that a multistep regression was found [CMC = 24.6 - 0.189 alkyl C - 2.64 (N + S); R2 = 0.77, P < 0.10, n = 6]. The four HAs solubilized PCE at the rate of 0.18-0.47 g PCE/g aqueous biosurfactant. These results were much higher than those reported in the literature for a commercial HA (0.026 g/g), but they were in line with those measured in this work for nonionic surfactants such as Tween-80 (0.69 g/g) and Triton X-100 (1.08 g/g).

  18. HTGR generic technology program. Semiannual report ending March 31, 1980

    SciTech Connect

    Not Available

    1980-05-01

    This document reports the technical accomplishments on the HTGR Generic Technology Program at General Atomic during the first half of FY-80. It covers a period when the design direction of the National HTGR Program is in the process of an overall review. The HTGR Generic Technology Program activities have continued so as to provide the basic technology required for all HTGR applications. The activities include the need to develop an MEU fuel and the need to qualify materials and components for the higher temperatures of the gas turbine and process heat plants.

  19. Collisions of excited Na atoms with H2 molecules. I. Ab initio potential energy surfaces and qualitative discussion of the quenching process

    NASA Astrophysics Data System (ADS)

    Botschwina, Peter; Meyer, Wilfried; Hertel, Ingolf V.; Reiland, W.

    1981-12-01

    Potential energy surfaces have been calculated for the four lowest electronic states of Na (3 2S, 3 2P)+H2(1Σ+g) by means of the RHF-SCF and PNO-CEPA methods. For the so-called quenching process of Na (3 2P) by H2 at low initial translational energies (E-VRT energy transfer) the energetically most favorable path occurs in C2v symmetry, since—at intermediate Na-H2 separation—the ? 2B2 potential energy surface is attractive. From the CEPA calculations, the crossing point of minimal energy between the ? 2A1 and ? 2B2 surfaces is obtained at Rc = 3.57 a.u. and rc = 2.17 a.u. with an energy difference to the asymptotic limit (R = ∞, r = re) of -0.06 eV. It is thus classically accessible without any initial translational energy, but at low initial translational energies (˜0.1 eV) quenching will be efficient only for arrangements of collision partners close to C2v symmetry. There is little indication of an avoiding crossing with an ionic intermediate correlating asymptotically with Na+ and H2- as was assumed in previous discussions of the quenching process. The dependence of the total quenching cross sections on the initial translational energy is discussed by means of the ''absorbing sphere'' model, taking the initial zero-point vibrational energy of the hydrogen molecule into account. New experimental data of the product channel distribution in H2 for center-of-mass forward scattering are presented. The final vibrational states v' = 3, 2, 1, and 0 of H2 are populated to about 26%, 61%, 13%, and 0%, respectively. The observed distributions in H2 (and D2) may be rationalized by simple dynamic considerations on the basis of the calculated surfaces.

  20. Proceedings of the First Semiannual Distributed Receiver Program Review

    NASA Technical Reports Server (NTRS)

    1980-01-01

    Point focus and line focus distributed receiver solar thermal technology for the production of electric power and of industrial process heat is addressed. Concentrator, receiver, and power conversion development are covered along with hardware tests and evaluation. Mass production costing, parabolic dish applications, and trough and bowl systems are included.

  1. Electron-excited molecule interactions

    SciTech Connect

    Christophorou, L.G. Tennessee Univ., Knoxville, TN . Dept. of Physics)

    1991-01-01

    In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10{sup 6} to 10{sup 7} times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs.

  2. Ceramic Technology Project semiannual progress report, October 1992--March 1993

    SciTech Connect

    Johnson, D.R.

    1993-09-01

    This project was developed to meet the ceramic technology requirements of the OTS`s automotive technology programs. Although progress has been made in developing reliable structural ceramics, further work is needed to reduce cost. The work described in this report is organized according to the following work breakdown structure project elements: Materials and processing (monolithics [Si nitride, carbide], ceramic composites, thermal and wear coatings, joining, cost effective ceramic machining), materials design methodology (contact interfaces, new concepts), data base and life prediction (structural qualification, time-dependent behavior, environmental effects, fracture mechanics, nondestructive evaluation development), and technology transfer.

  3. Nuclear technology programs. Semiannual progress report, April--September 1991

    SciTech Connect

    Not Available

    1993-07-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April through September 1991. These programs involve R & D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  4. Nuclear Technology Programs semiannual progress report, October 1990--March 1991

    SciTech Connect

    1992-12-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1990--March 1991. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transpose of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  5. Nuclear Technology Programs semiannual progress report, April-- September 1990

    SciTech Connect

    Harmon, J.E.

    1992-06-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April--September 1990. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  6. Nuclear Technology Programs semiannual progress report, April-- September 1990

    SciTech Connect

    Harmon, J.E.

    1992-06-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April--September 1990. These programs involve R D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation's high-level waste repositories.

  7. Nuclear technology programs; Semiannual progress report, October 1989--March 1990

    SciTech Connect

    Harmon, J.E.

    1992-01-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1989--March 1990. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions, the thermophysical properties of metal fuel and blanket materials of the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. Another effort is concerned water waste stream generated in production of 2,4,6-trinitrotoluene. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  8. Nuclear Technology Programs semiannual progress report, October 1988--March 1989

    SciTech Connect

    Harmon, J.E.

    1990-12-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1988--March 1989. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions, the thermophysical properties of metal fuel and blanket materials of the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. Another effort is concerned with examining the feasibility of substituting low-enriched for high-enriched uranium in the production of fission product {sup 99}Mo. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories. 127 refs., 76 figs., 103 tabs.

  9. ZRBA1, a Mixed EGFR/DNA Targeting Molecule, Potentiates Radiation Response Through Delayed DNA Damage Repair Process in a Triple Negative Breast Cancer Model

    SciTech Connect

    Heravi, Mitra; Kumala, Slawomir; Rachid, Zakaria; Jean-Claude, Bertrand J.; Radzioch, Danuta; Muanza, Thierry M.

    2015-06-01

    Purpose: ZRBA1 is a combi-molecule designed to induce DNA alkylating lesions and to block epidermal growth factor receptor (EGFR) TK domain. Inasmuch as ZRBA1 downregulates the EGFR TK-mediated antisurvival signaling and induces DNA damage, we postulated that it might be a radiosensitizer. The aim of this study was to further investigate the potentiating effect of ZRBA1 in combination with radiation and to elucidate the possible mechanisms of interaction between these 2 treatment modalities. Methods and Materials: The triple negative human breast MDA-MB-468 cancer cell line and mouse mammary cancer 4T1 cell line were used in this study. Clonogenic assay, Western blot analysis, and DNA damage analysis were performed at multiple time points after treatment. To confirm our in vitro findings, in vivo tumor growth delay assay was performed. Results: Our results show that a combination of ZRBA1 and radiation increases the radiation sensitivity of both cell lines significantly with a dose enhancement factor of 1.56, induces significant numbers of DNA strand breaks, prolongs higher DNA damage up to 24 hours after treatment, and significantly increases tumor growth delay in a syngeneic mouse model. Conclusions: Our data suggest that the higher efficacy of this combination could be partially due to increased DNA damage and delayed DNA repair process and to the inhibition of EGFR. The encouraging results of this combination demonstrated a significant improvement in treatment efficiency and therefore could be applicable in early clinical trial settings.

  10. Ceramic Technology Project semiannual progress report, April 1992--September 1992

    SciTech Connect

    Johnson, D.R.

    1993-07-01

    This project was developed to meet the ceramic technology requirements of the DOE Office of Transportation Systems` automotive technology programs. Significant progress in fabricating ceramic components for DOE, NASA, and DOE advanced heat engine programs show that operation of ceramic parts in high-temperature engines is feasible; however, addition research is needed in materials and processing, design, and data base and life prediction before industry will have a sufficient technology base for producing reliable cost-effective ceramic engine components commercially. A 5-yr project plan was developed, with focus on structural ceramics for advanced gas turbine and diesel engines, ceramic bearings and attachments, and ceramic coatings for thermal barrier and wear applications in these engines.

  11. Ceramic Technology Project. Semiannual progress report, April 1991--September 1991

    SciTech Connect

    Not Available

    1992-03-01

    The Ceramic Technology Project was developed by the USDOE Office of Transportation Systems (OTS) in Conservation and Renewable Energy. This project, part of the OTS`s Materials Development Program, was developed to meet the ceramic technology requirements of the OTS`s automotive technology programs. Significant accomplishments in fabricating ceramic components for the USDOE and NASA advanced heat engine programs have provided evidence that the operation of ceramic parts in high-temperature engine environments is feasible. These programs have also demonstrated that additional research is needed in materials and processing development, design methodology, and data base and life prediction before industry will have a sufficient technology base from which to produce reliable cost-effective ceramic engine components commercially. A five-year project plan was developed with extensive input from private industry. In July 1990 the original plan was updated through the estimated completion of development in 1993. The objective is to develop the industrial technology base required for reliable ceramics for application in advanced automotive heat engines. The project approach includes determining the mechanisms controlling reliability, improving processes for fabricating existing ceramics, developing new materials with increased reliability, and testing these materials in simulated engine environments to confirm reliability. Although this is a generic materials project, the focus is on the structural ceramics for advanced gas turbine and diesel engines, ceramic bearings and attachments, and ceramic coatings for thermal barrier and wear applications in these engines. To facilitate the rapid transfer of this technology to US industry, the major portion of the work is being done in the ceramic industry, with technological support from government laboratories, other industrial laboratories, and universities.

  12. Semi-annual report of the Department of Energy, Office of Environmental Management, Quality Assessment Program

    SciTech Connect

    Greenlaw, P.D.; Minick, S.K.

    1998-07-01

    This Quality Assessment Program (QAP) is designed to test the quality of the environmental measurements being reported to the Department of Energy by its contractors. Since 1976, real or synthetic environmental samples that have been prepared and thoroughly analyzed at the Environmental Measurements Laboratory (EML) have been distributed at first quarterly and then semi-annually to these contractors. Their results, which are returned to EML within 90 days, are compiled with EML`s results and are reported back to the participating contractors 30 days later. This report presents the results from the analysis of the 48th set of environmental quality assessment samples (QAP XLVIII) that were received on or before June 1, 1998.

  13. NNWSI waste from testing at Argonne National Laboratory. Semiannual report, July-December 1985

    SciTech Connect

    Bates, J.K.; Gerding, T.J.; Abrajano, T.A. Jr.; Ebert, W.

    1986-03-01

    The Nevada Nuclear Waste Storage Investigations (NNWSI) Project is investigating the volcanic tuff beds of Yucca Mountain, Nevada, as a potential location for a high-level radioactive waste repository. As part of the waste package development portion of this project, experiments are being performed by the Chemical Technology Division of Argonne National Laboratory to study the behavior of the waste forms under anticipated repository conditions. These experiments include (1) the development and performance of a test to measure waste form behavior in unsaturated conditions and (2) the performance of tests designed to study the behavior of waste package components in an irradiated environment. Previous reports document developments in these areas through 1984. This report summarizes progress in 1985. Reports will be issued semi-annually hereafter.

  14. Fusion reactor materials. Semiannual progress report for period ending September 30, 1993

    SciTech Connect

    Rowcliffe, A.F.; Burn, G.L.; Knee`, S.S.; Dowker, C.L.

    1994-02-01

    This is the fifteenth in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following progress reports: Alloy Development for Irradiation Performance; Damage Analysis and Fundamental Studies; Special purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the U.S. Department of Energy. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  15. Office of Inspector General semiannual report to Congress, October 1, 1997--March 31, 1998

    SciTech Connect

    1998-04-01

    This Office of Inspector General (OIG) Semiannual Report to the Congress covers the period from October 1, 1997, through March 31, 1998. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period that facilitated Department of Energy (Department) efforts to improve management controls and ensure efficient and effective operation of its programs. This report highlights OIG accomplishments in support of its Strategic Plan. Narratives of the Office`s most significant reports are grouped by the strategic goals against which the OIG measures its performance. To put the OIG accomplishments for this reporting period in context, the following statistical information is provided: audit and inspection reports issued -- 47; recommendations that funds be put to better use -- $356,257,856; management commitment to taking corrective actions -- $289,106,445; criminal indictments/convictions -- 8; fines and recoveries -- $1,612,932; and investigative reports to management recommending positive change -- 21.

  16. NRC regulatory agenda: Semiannual report, January--June 1997. Volume 16, Number 1

    SciTech Connect

    1997-08-01

    The Regulatory Agenda is a semiannual compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and of all petitions for rulemaking that the NRC has received that are pending disposition. The agenda consists of two sections that have been updated through June 30, 1997. Section 1, ``Rules,`` includes (A) rules on which final action has been taken since December 31, 1996, the closing date of the last NRC Regulatory Agenda; (B) rules published previously as proposed rules on which the Commission has not taken final action; (C) rules published as advance notices of proposed rulemaking for which neither a proposed nor final rule has been issued; and (D) unpublished rules on which the NRC expects to take action. Section 2, ``Petitions for Rulemaking,`` includes (A) petitions denied or incorporated into final rules since December 31, 1996; (B) petitions incorporated into proposed rules; and (C) petitions pending staff review.

  17. Office of Inspector General semiannual report to Congress, April 1--September 30, 1995

    SciTech Connect

    1995-10-01

    This Office of Inspector General Semiannual Report to the Congress covers the period from April 1 through September 30, 1995. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period, a large portion of which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. Narratives of the most significant reports are grouped by six primary performance measures which the Office of Inspector General uses to gauge its attainment of the outcomes established in the Office of Inspector General Strategic Plan. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. The six performance measures present outcomes of Office of Inspector General work in terms of improvements in Department programs and operations.

  18. Equatorial semiannual oscillation in zonally averaged temperature observed by the Nimbus 7 SAMS and LIMS

    NASA Astrophysics Data System (ADS)

    Delisi, Donald P.; Dunkerton, Timothy J.

    1988-04-01

    Zonally averaged equatorial temperatures obtained aboard Nimbus 7 by the stratospheric and mesospheric sounder (SAMS) are compared to comparable data obtained from the limb IR monitor of the stratosphere. The SAMS data are shown to confirm the seasonal asymmetry in semiannual wind regimes previously noted in rocketsonde observations near the equator. Two explanations for the asymmetry are considered: (1) an improved Kelvin and gravity wave transmissivity in stronger equatorial easterlies (resulting from planetary Rossby wave momentum transport), implying stronger westerly mean flow acceleration in the first cycle than in the second; and (2) evidence of strong polar-tropical coupling in the northern winter indicating that mean meridional circulations are present on a global scale.

  19. The tropical semiannual oscillations in temperature and ozone as observed my the MLS

    NASA Technical Reports Server (NTRS)

    Ray, Eric A.; Holton, James R.; Fishbein, Evan F.; Froidevaux, Lucien; Waters, J. W.

    1994-01-01

    The first two years of Microwave Limb Sounder (MLS) temperature and ozone data are used to examine the tropical upper-stratospheric semiannual oscillation (SAO). Time series analysis revealed that the strongest amplitudes of the SAO occurred near the equator at 2 mb for temperature and 5 mb for ozone, consistent with previous observations. The first cycle of each calendar year was observed to have a much higher amplitude than the second cycle except for the warm phase in late 1991. Interannual variability in the strength of the SAO, such as the much stronger warm phase of late 1991 as compared to late 1992, was significant and could be partly attributed to the Quasi-Biennial Oscillation (QBO) in zonal wind.

  20. Semi-annual report of the Department of Energy, Office of Environmental Management, Quality Assessment Program

    SciTech Connect

    Greenlaw, P.D.

    1998-01-01

    This Quality Assessment Program (QAP) is designed to test the quality of the environmental measurements being reported to the Department of Energy by its contractors. Since 1976, real or synthetic environmental samples that have been prepared and thoroughly analyzed at the Environmental Measurements Laboratory (EML) have been distributed at first quarterly and then semi-annually to these contractors. Their results, which are returned to EML within 90 days, are compiled with EML`s results and are reported back to the participating contractors 30 days later. A summary of the reported results is available to the participants 4 days after the reporting deadline via the Internet at www.eml.doe.gov. This report presents the results from the analysis of the 47th set of environmental quality assessment samples (QAP XLVII) that were received on or before December 1, 1997.

  1. MHD Technology Transfer, Integration and Review Committee. Second semiannual status report, July 1988--March 1989

    SciTech Connect

    Not Available

    1989-10-01

    As part of the MHD Integrated Topping Cycle (ITC) project, TRW was given the responsibility to organize, charter and co-chair, with the Department of Energy (DOE), an MHD Technology Transfer, Integration and Review Committee (TTIRC). The Charter of the TTIRC, which was approved by the DOE in June 1988 and distributed to the committee members, is included as part of this Summary. As stated in the Charter, the purpose of this committee is to: (1) review all Proof-of-Concept (POC) projects and schedules in the national MHD program; to assess their compatibility with each other and the first commercial MHD retrofit plant; (2) establish and implement technology transfer formats for users of this technology; (3) identify interfaces, issues, and funding structures directly impacting the success of the commercial retrofit; (4) investigate and identify the manner in which, and by whom, the above should be resolved; and (5) investigate and assess other participation (foreign and domestic) in the US MHD Program. The DOE fiscal year 1989 MHD Program Plan Schedule is included at the end of this Summary. The MHD Technology Transfer, Integration and Review Committee`s activities to date have focused primarily on the ``technology transfer`` aspects of its charter. It has provided a forum for the dissemination of technical and programmatic information among workers in the field of MHD and to the potential end users, the utilities, by holding semi-annual meetings. The committee publishes this semi-annual report, which presents in Sections 2 through 11 capsule summaries of technical progress for all DOE Proof-of-Concept MHD contracts and major test facilities.

  2. Annual and semiannual variations of the geomagnetic field at equatorial locations

    USGS Publications Warehouse

    Campbell, W.H.

    1981-01-01

    For a year of quiet solar-activity level, geomagnetic records from American hemisphere observatories located between about 0?? and 30?? north geomagnetic latitude were used to compare the annual and semiannual variations of the geomagnetic field associated with three separate contributions: (a) the quiet-day midnight level, MDT; (b) the solar-quiet daily variation, Sq; (c) the quiet-time lunar semidiurnal tidal variation, L(12). Four Fourier spectral constituents (24, 12, 8, 6 h periods) of Sq were individually treated. All three orthogonal elements (H, D and Z) were included in the study. The MDT changes show a dominant semiannual variation having a range of about 7 gammas in H and a dominant annual variation in Z having a range of over 8 gammas. These changes seem to be a seasonal response to the nightside distortions by magnetospheric currents. There is a slow decrease in MDT amplitudes with increasing latitude. The Sq changes follow the patterns expected from an equatorial ionospheric dynamo electrojet current system. The dominant seasonal variations occur in H having a range of over 21 gammas for the 24 h period and over 12 gammas for the 12 h period spectral components. The higher-order components are relatively smaller in size. The Sq(H) amplitudes decrease rapidly with increasing latitude. Magnetospheric contributions to the equatorial Sq must be less than a few per cent of the observed magnitude. The L(12) variation shows the ionospheric electrojet features by the dominance of H and the rapid decrease in amplitude with latitude away from the equator. However, the seasonal variation range of over 7 gammas has a maximum in early February and minimum in late June that is not presently explainable by the known ionospheric conductivity and tidal behavior. ?? 1981.

  3. The semiannual variation of great geomagnetic storms and the postshock Russell-Mcpherron effect preceding coronal mass ejecta

    NASA Technical Reports Server (NTRS)

    Crooker, N. U.; Cliver, E. W.; Tsurutani, B. T.

    1992-01-01

    Recent results indicate that the intense southward interplanetary magnetic fields (IMFs) responsible for great storms can reside in the postshock plasma preceding the driver gas of coronal mass ejections (CMEs) as well as in the driver gas itself. It is proposed here that strong southward fields in the postshock flow result from a major increase in the Russell-McPherron polarity effect through a systematic pattern of compression and draping within the ecliptic plane. Differential compression at the shock increases the Parker spiral angle and, consequently, the azimuthal field component that projects as a southward component onto earth's dipole axis. The resulting prediction is that southward fields in the postshock plasma maximize at the spring (fall) equinox in CMEs emerging from toward (away) sectors. This pattern produces a strong semiannual variation in postshock IMF orientation and may account at least in part for the observed semiannual variation of the occurrence of great geomagnetic storms.

  4. Influence of silver nanoparticles on relaxation processes and efficiency of dipole – dipole energy transfer between dye molecules in polymethylmethacrylate films

    SciTech Connect

    Bryukhanov, V V; Borkunov, R Yu; Tsarkov, M V; Konstantinova, E I; Slezhkin, V A

    2015-10-31

    The fluorescence and phosphorescence of dyes in thin polymethylmethacrylate (PMMA) films in the presence of ablated silver nanoparticles has been investigated in a wide temperature range by methods of femtosecond and picosecond laser photoexcitation. The fluorescence and phosphorescence times, as well as spectral and kinetic characteristics of rhodamine 6G (R6G) molecules in PMMA films are measured in a temperature range of 80 – 330 K. The temperature quenching activation energy of the fluorescence of R6G molecules in the presence of ablated silver nanoparticles is found. The vibrational relaxation rate of R6G in PMMA films is estimated, the efficiency of the dipole – dipole electron energy transfer between R6G and brilliant green molecules (enhanced by plasmonic interaction with ablated silver nanoparticles) is analysed, and the constants of this energy transfer are determined. (nanophotonics)

  5. Analysis of Satellite sea surface temperature time series in the Brazil-Malvinas Current confluence region: Dominance of the annual and semiannual periods

    NASA Astrophysics Data System (ADS)

    Provost, Christine; Garcia, Omar; GarçOn, VéRonique

    1992-11-01

    We study the dominant periodic variations of sea surface temperature (SST) in the Brazil-Malvinas Confluence region from a satellite-derived data set compiled by Olson et al. (1988). This data set is composed of 202 sea surface temperature images with a 4 × 4 km resolution and extends over 3 years (from July 1984 to July 1987). Each image is a 5-day composite. The dominant signal, as already observed by Podesta et al. (1991), has a 1-year period. We first fit a single-frequency sinusoidal model of the annual cycle in order to estimate mean temperature, amplitude, and phase at 159 points uniformly distributed over the region. The residuals are generally small (less than 2°C). The largest departures from this cycle are located either in the Brazil-Malvinas frontal region or in the southeastern part of the region. Other periods in SST variations are identified by means of periodograms of the 159 residual time series in which the annual cycle has been substracted. The periodograms show that a semiannual frequency signal is present at almost every location. The ratio of the semiannual amplitude to the annual amplitude increases southward from 0% at 30°S to reach up to 45% at 50°S. In the south the semiannual signal creates an asymmetry, and the resulting (total) annual cycle has a cold period (winter) longer than the warm one (summer). In the frontal region the annual and semiannual signals have an important interannual variation. This semiannual frequency is associated with the semiannual wave present in the atmospheric forcing of the southern hemisphere. Differential heating over the mid-latitude oceans and the high-latitude ice-covered Antarctic Continent has been suggested as the cause of this semiannual wave (Van Loon, 1967).

  6. MHD Technology Transfer, Integration and Review Committee. Fifth semi-annual status report, April 1990--September 1990

    SciTech Connect

    Not Available

    1992-01-01

    This fifth semi-annual status report of the MHD Technology Transfer, Integration, and Review Committee (TTIRC) summarizes activities of the TTIRC during the period April 1990 through September 1990. It includes summaries and minutes of committee meetings, progress summaries of ongoing Proof-of-Concept (POC) contracts, discussions pertaining to technical integration issues in the POC program, and planned activities for the next six months.

  7. Indan-1,3-dione electron-acceptor small molecules for solution-processable solar cells: a structure-property correlation.

    PubMed

    Winzenberg, Kevin N; Kemppinen, Peter; Scholes, Fiona H; Collis, Gavin E; Shu, Ying; Singh, Th Birendra; Bilic, Ante; Forsyth, Craig M; Watkins, Scott E

    2013-07-18

    A structure-device performance correlation in bulk heterojunction solar cells for new indandione-derived small molecule electron acceptors, FEHIDT and F8IDT, is presented. Devices based on the former exhibit higher power conversion efficiency (2.4%) and higher open circuit voltage, a finding consistent with reduced intermolecular interactions.

  8. Star-shaped D-A small molecules based on diketopyrrolopyrrole and triphenylamine for efficient solution-processed organic solar cells.

    PubMed

    Pan, Jun-Ying; Zuo, Li-Jian; Hu, Xiao-Lian; Fu, Wei-Fei; Chen, Mei-Rong; Fu, Lei; Gu, Xiao; Shi, Hang-Qi; Shi, Min-Min; Li, Han-Ying; Chen, Hong-Zheng

    2013-02-01

    Three star-shaped D-A small molecules, (P-DPP)(3)TPA, (4-FP-DPP)(3)TPA, and (4-BuP-DPP)(3)TPA were designed and synthesized with triphenylamine (TPA) as the core, diketopyrrolopyrrole (DPP) as the arm, and unsubstituted or substituted benzene rings (phenyl, P; 4-fluoro-phenyl, 4-FP; 4-n-butyl-phenyl, 4-BuP) as the end-group. All the three small molecules show relatively narrow optical band gaps (1.68-1.72 eV) and low-lying highest occupied molecular orbital (HOMO) energy levels (-5.09∼-5.13 eV), implying that they are potentially good electron donors for organic solar cells (OSCs). Then, photovoltaic properties of the small molecules blended with [6,6]-phenyl-C(61)-butyric acid methyl ester (PC(61)BM) as electron acceptor were investigated. Among three small molecules, the OSC based on (P-DPP)(3)TPA:PCBM blend exhibits a best power conversion efficiency (PCE) of 2.98% with an open-circuit voltage (V(oc)) of 0.72 V, a short-circuit current density (J(sc)) of 7.94 mA/cm(2), and a fill factor (FF) of 52.2%, which may be ascribed to the highest hole mobility of (P-DPP)(3)TPA.

  9. Solution-Processable Small Molecules for High-Performance Organic Solar Cells with Rigidly Fluorinated 2,2'-Bithiophene Central Cores.

    PubMed

    Wang, Zhenguo; Li, Zuojia; Liu, Jiang; Mei, Jun; Li, Kai; Li, Ying; Peng, Qiang

    2016-05-11

    Small molecules containing an oligothiophene backbone are simple but effective donor materials for organic solar cells (OSCs). In this work, we incorporated rigid 2,2'-bithiophene (BT) or fluorinated 2,2'-bithiophene (FBT) as the central unit and synthesized two novel small molecules (TTH-D3TRh and TTF-D3TRh) with an oligothiophene backbone and 3-ethylrhodanine end groups. Both molecules exhibit good thermal stability as well as strong and broad absorption. The fluorination of the BT central unit made TTF-D3TRh possess a relatively lower-lying HOMO energy level, better molecular stacking, and higher mobility in comparison with those of TTH-D3TRh. Conventional OSCs were fabricated to evaluate the photovoltaic property of these two molecules. Without extra post-treatments, the conventional devices based on TTH-D3TRh and TTF-D3TRh showed high PCEs of 5.00 and 5.80%, respectively. The TTF-D3TRh device exhibited a higher performance, which can be attributed to the improved Voc of 0.92 V, Jsc of 10.04 mA cm(-2), and FF of 62.8%. Using an inverted device structure, the OSCs based on TTH-D3TRh and TTF-D3TRh showed largely elevated PCEs of 5.89 and 7.14%, respectively. The results indicated that the structurally simple TTH-D3TRh and TTF-D3TR molecules are potential donor candidates for achieving highly efficient OSCs. The strategy of fluorination and rigidity designation is an effective approach to develop oligothiophene-based small molecular donors for highly efficient solar cell applications.

  10. Semiannual report

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period 1 Oct. 1994 - 31 Mar. 1995.

  11. Ultrafast electron diffraction from aligned molecules

    SciTech Connect

    Centurion, Martin

    2015-08-17

    The aim of this project was to record time-resolved electron diffraction patterns of aligned molecules and to reconstruct the 3D molecular structure. The molecules are aligned non-adiabatically using a femtosecond laser pulse. A femtosecond electron pulse then records a diffraction pattern while the molecules are aligned. The diffraction patterns are then be processed to obtain the molecular structure.

  12. Model molecules mimicking asphaltenes.

    PubMed

    Sjöblom, Johan; Simon, Sébastien; Xu, Zhenghe

    2015-04-01

    Asphalthenes are typically defined as the fraction of petroleum insoluble in n-alkanes (typically heptane, but also hexane or pentane) but soluble in toluene. This fraction causes problems of emulsion formation and deposition/precipitation during crude oil production, processing and transport. From the definition it follows that asphaltenes are not a homogeneous fraction but is composed of molecules polydisperse in molecular weight, structure and functionalities. Their complexity makes the understanding of their properties difficult. Proper model molecules with well-defined structures which can resemble the properties of real asphaltenes can help to improve this understanding. Over the last ten years different research groups have proposed different asphaltene model molecules and studied them to determine how well they can mimic the properties of asphaltenes and determine the mechanisms behind the properties of asphaltenes. This article reviews the properties of the different classes of model compounds proposed and present their properties by comparison with fractionated asphaltenes. After presenting the interest of developing model asphaltenes, the composition and properties of asphaltenes are presented, followed by the presentation of approaches and accomplishments of different schools working on asphaltene model compounds. The presentation of bulk and interfacial properties of perylene-based model asphaltene compounds developed by Sjöblom et al. is the subject of the next part. Finally the emulsion-stabilization properties of fractionated asphaltenes and model asphaltene compounds is presented and discussed.

  13. Correlation of some radiative processes resulting from electronic and vibrational spectra of a CN molecule excited in an electric arc discharge

    NASA Astrophysics Data System (ADS)

    Iova, Iancu; Bazavan, M.; Biloiu, Costel; Ilie, Gheorghe; Bulinski, M.

    1998-07-01

    The molecular vibration temperature of the plasma from an interrupt arc discharge in air at atmospheric pressure and at current intensities in the range of 2 divided by 8 Amperes, using electronic and vibration bands of violet [B2(Sigma) + - X2(Sigma) +] and red [A2(Pi) - X2(Sigma) +] systems of the CN molecule was determined. At the equilibrium temperature of 6400 K, 27 lines of Ti, contained as impurity in coal electrode were found. These spectral lines were found in the 247 divided by 340 nm spectral range, having the upper levels of the excitation energies in the 3.60 divided by 5.69 eV range, in the neighborhood of the energy of dissociation of the CN molecule on the fundamental electronic state. Some considerations about the vibrational states populations are also made.

  14. 40 CFR 63.446 - Standards for kraft pulping process condensates.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... time in a semi-annual reporting period does not exceed 10 percent. The 10 percent excess emissions... process condensates or changes in the annual bleached or non-bleached ODP used to comply with paragraph (i... paragraph (e)(4) or (5) of this section by the ratio of annual megagrams of bleached and unbleached ODP....

  15. Environmental Restoration/Waste Management - applied technology. Semiannual report, July 1992--June 1993, Volume 1, Number 2, and Volume 2, Number 1

    SciTech Connect

    Murphy, P.W.; Bruner, J.M.; Price, M.E.; Talaber, C.J.

    1993-12-31

    The Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Program is developing restoration and waste treatment technologies needed for the ongoing environmental cleanup of the Department of Energy (DOE) complex and treatment technologies for wastes generated in the nuclear weapons production complex. These technologies can find application to similar problems nationally and even worldwide. They can be demonstrated at the Livermore site, which mirrors (on a small scale) many of the environmental and waste management problems of the rest of the DOE complex. Their commercialization should speed cleanup, and the scope of the task should make it attractive to US industry. The articles in this semi-annual report cover the following areas: ceramic final forms for residues of mixed waste treatment; treatment of wastes containing sodium nitrate; actinide volatility in thermal oxidation processes; in situ microbial filters for remediating contaminated soils; collaboration with scientists in the former Soviet Union on new ER/WM technologies; and fiber-optic sensors for chlorinated organic solvents.

  16. Determination of local concentration of H2O molecules and gas temperature in the process of hydrogen - oxygen gas mixture heating by means of linear and nonlinear laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Kozlov, D. N.; Kobtsev, V. D.; Stel'makh, O. M.; Smirnov, Valery V.; Stepanov, E. V.

    2013-01-01

    Employing the methods of linear absorption spectroscopy and nonlinear four-wave mixing spectroscopy using laserinduced gratings we have simultaneously measured the local concentrations of H2O molecules and the gas temperature in the process of the H2 - O2 mixture heating. During the measurements of the deactivation rates of pulsed-laser excited singlet oxygen O2 (b 1Σ+g) in collisions with H2 in the range 294 - 850 K, the joint use of the two methods made it possible to determine the degree of hydrogen oxidation at a given temperature. As the mixture is heated, H2O molecules are formed by 'dark' reactions of H2 with O2 in the ground state. The experiments have shown that the measurements of tunable diode laser radiation absorption along an optical path through the inhomogeneously heated gas mixture in a cell allows high-accuracy determination of the local H2O concentration in the O2 laser excitation volume, if the gas temperature in this volume is known. When studying the collisional deactivation of O2 (b 1Σ+g) molecules, the necessary measurements of the local temperature can be implemented using laser-induced gratings, arising due to spatially periodic excitation of O2 (X3Σ-g) molecules to the b 1Σ+g state by radiation of the pump laser of the four-wave mixing spectrometer.

  17. Switching phase separation mode by varying the hydrophobicity of polymer additives in solution-processed semiconducting small-molecule/polymer blends

    NASA Astrophysics Data System (ADS)

    He, Zhengran; Li, Dawen; Hensley, Dale K.; Rondinone, Adam J.; Chen, Jihua

    2013-09-01

    Lateral and vertical phase separations play critical roles in the performance of the next-generation organic and hybrid electronic devices. A method is demonstrated here to switch between lateral and vertical phase separations in semiconducting 6,13-bis(triisopropylsilylethynyl) pentacene (TIPSE pentacene)/polymer blend films by simply varying the alkyl length of the polyacrylate polymer component. The phase separation modes depend on intermolecular interactions between small molecule TIPSE pentancene and polymer additives. The blend film with a dominant vertical phase separation exhibits a significant enhancement in average mobility and performance consistency of organic thin-film transistors.

  18. Semi-annual oscillations in Saturn's low-latitude stratospheric temperatures.

    PubMed

    Orton, Glenn S; Yanamandra-Fisher, Padma A; Fisher, Brendan M; Friedson, A James; Parrish, Paul D; Nelson, Jesse F; Bauermeister, Amber Swenson; Fletcher, Leigh; Gezari, Daniel Y; Varosi, Frank; Tokunaga, Alan T; Caldwell, John; Baines, Kevin H; Hora, Joseph L; Ressler, Michael E; Fujiyoshi, Takuya; Fuse, Tetsuharu; Hagopian, Hagop; Martin, Terry Z; Bergstralh, Jay T; Howett, Carly; Hoffmann, William F; Deutsch, Lynne K; Van Cleve, Jeffrey E; Noe, Eldar; Adams, Joseph D; Kassis, Marc; Tollestrup, Eric

    2008-05-08

    Observations of oscillations of temperature and wind in planetary atmospheres provide a means of generalizing models for atmospheric dynamics in a diverse set of planets in the Solar System and elsewhere. An equatorial oscillation similar to one in the Earth's atmosphere has been discovered in Jupiter. Here we report the existence of similar oscillations in Saturn's atmosphere, from an analysis of over two decades of spatially resolved observations of its 7.8-microm methane and 12.2-microm ethane stratospheric emissions, where we compare zonal-mean stratospheric brightness temperatures at planetographic latitudes of 3.6 degrees and 15.5 degrees in both the northern and the southern hemispheres. These results support the interpretation of vertical and meridional variability of temperatures in Saturn's stratosphere as a manifestation of a wave phenomenon similar to that on the Earth and in Jupiter. The period of this oscillation is 14.8 +/- 1.2 terrestrial years, roughly half of Saturn's year, suggesting the influence of seasonal forcing, as is the case with the Earth's semi-annual oscillation.

  19. Semiannual report to Congress on Inspector General Audit Reports, October 1, 1994--March 31, 1995

    SciTech Connect

    1995-05-01

    This is the Secretary of Energy`s twelfth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, October 1, 1994 through March 31, 1995, the Department took final action on 32 operational, financial, and preaward audit reports. At the end of the period 90 reports awaited final action. Final action was taken on four contract and financial assistance audits, leaving four reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of these reports.

  20. Fusion materials semiannual progress report for the period ending March 31, 1995

    SciTech Connect

    1995-07-01

    This is the eighteenth in a series of semiannual technical progress reports on fusion materials. This report combines research and development activities which were previously reported separately in the following progress reports: {sm_bullet} Alloy Development for Irradiation Performance. {sm_bullet} Damage Analysis and Fundamental Studies. {sm_bullet} Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide. This report has been compiled and edited under the guidance of A.F. Rowcliffe by Gabrielle Burn, Oak Ridge National Laboratory. Their efforts, and the efforts of the many persons who made technical contributions, are gratefully acknowledged.

  1. Fusion reactor materials: Semiannual progress report for period ending September 30, 1987

    SciTech Connect

    none,

    1988-03-01

    This is the third in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following technical progress reports: Alloy Development for Irradiation Performances; Damage Analysis and Fundamental Studies; Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  2. Semiannual variations of great geomagnetic storms: Solar sources of great storms. (Reannouncement with new availability information)

    SciTech Connect

    Cliver, E.W.; Crooker, N.U.; Cane, H.V.

    1992-01-01

    The authors report preliminary results of an investigation of the solar sources of 25 great geomagnetic storms with D sub st < or = {minus}250 nT occurring from 1957-1990. These storms exhibit a clear semiannual variation with 14 events occurring within {+-} 30 days of the equinoxes vs. 5 storms within {+-} 30 days of the solstices. This seasonal variation appears to result from a variable threshold for the size of a solar event required to produce a great geomagnetic storm, in the sense that weaker solar events, such as disappearing solar filaments, are more likely to produce great storms at the equinoxes than near the solstices. The great problem storms of the last four solar cycles, i.e., those storms lacking commensurate preceding solar activity, are all found to occur relatively near the equinoxes. Conversely, four of the five great storms that occurred near the solstices were preceded by truly outstanding solar flares. About half (11/25) of the great storms had obvious precursor geomagnetic activity, i.e., periods of approximately > 1 day with D sub st approximately < {minus}30 nT. The precursors can enable some weaker solar events to be more geoeffective than would otherwise be the case in two ways: (1) compression and amplification of pre-existing southward (precursor) fields by the transient shock, and (2) establishment of a lower D sub st baseline , making it easier for transient events to drive D sub st to values < or = {minus}250 nT.

  3. Semiannual report to Congress on Inspector General audit reports: October 1, 1995--March 31, 1996

    SciTech Connect

    1996-05-01

    This is the Secretary of Energy`s fourteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, October 1, 1995, through March 31, 1996, the Department took final action on 35 operational, financial, and preaward audit reports. At the end of the period 92 reports awaited final action. Final action was taken on two contract and financial assistance audits, leaving two reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of these reports.

  4. Semiannual report to Congress on Inspector General audit reports, April 1--September 30, 1996

    SciTech Connect

    1996-11-01

    This is the Secretary of Energy`s fifteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, April 1, 1996, through September 30, 1996, the Department took final action on 34 operational, financial, and preaward audit reports. At the end of the period 87 reports awaited final action. Final action was taken on seven contract and financial assistance audits, leaving two reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector Generator audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective action on each of these reports.

  5. Semiannual report to Congress on Inspector General audit reports, October 1, 1996--March 31, 1997

    SciTech Connect

    1997-05-01

    This is the Secretary of Energy`s sixteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, October 1, 1996, through March 31, 1997, the Department took final action on 31 operational, financial, and preaward audit reports. At the end of the period 74 reports awaited final action. Final action was taken on 11 contract and financial assistance audits, leaving no reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of those reports.

  6. Semiannual report to Congress on Inspector General audit reports, October 1, 1997--March 31, 1998

    SciTech Connect

    1998-05-01

    This is the Secretary of Energy`s eighteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, October 1, 1997, through March 31, 1998, the Department took final action on 20 operational, financial, and preaward audit reports. At the end of the period 80 reports awaited final action. Final action was taken on one contract and financial assistance audit, leaving two reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of those reports.

  7. Semiannual report to Congress on Inspector General audit reports: April 1--September 30, 1997

    SciTech Connect

    1997-11-01

    This is the Secretary of Energy`s seventeenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, April 1 through September 30, 1997, the Department took final action on 29 operational, financial, and preaward audit reports. At the end of the period 72 reports awaited final action. Final action was taken on five contract and financial assistance audits, leaving two reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of those reports.

  8. Semiannual report to Congress on Inspector General audit reports, April 1, 1995--September 30, 1995

    SciTech Connect

    1995-11-01

    This is the Secretary of Energy`s thirteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, April 1, 1995, through September 30, 1995, the Department took final action on 33 operational, financial, and preaward audit reports. At the end of the period 96 reports awaited final action. Final action was taken on 2 contract and financial assistance audits, leaving 2 reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of these reports.

  9. NRC regulatory agenda: Semiannual report, January--June 1995. Volume 14, Number 1

    SciTech Connect

    1995-09-01

    The Regulatory Agenda is a semiannual compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and of all petitions for rulemaking that the NRC has received that are pending disposition. The agenda consists of two sections that have been updated through June 30, 1995. Section 1, ``Rules,`` includes (A) rules on which final action has been taken since December 30, 1994, the closing date of the last NRC Regulatory Agenda; (B) rules published previously as proposed rules on which the Commission has not taken final action; (C) rules published as advance notices of proposed rulemaking for which neither a proposed nor final rule has been issued; and (D) unpublished rules on which the NRC expects to take action. Section 2, ``Petitions for Rulemaking,`` includes (A) petitions denied or incorporated into final rules since December 30, 1994; (B) petitions incorporated into proposed rules; (C) petitions pending staff review, and (D) petitions with deferred action.

  10. Global features of the semiannual oscillation in stratospheric temperatures and comparison between seasons and hemispheres

    NASA Technical Reports Server (NTRS)

    Gao, Xin-Hai; Yu, Wen-Bi; Stanford, John L.

    1987-01-01

    Four years of satellite-derived microwave and infrared radiances are analyzed for the three-dimensional and seasonal variation of semiannual oscillations (SAO) in stratospheric temperatures, with particular focus on high latitudes, to investigate the effect of stratospheric warmings on SAO. Separate analyses of individual seasons in each hemisphere reveal that the strongest SAO in temperature occur in the Northern Hemisphere (NH) winter polar upper stratosphere. These results, together with the latitudinal structure of the temperature SAO and the fact that the NH polar SAO is nearly out of phase with the lower latitude SAO, are consistent with the existence of a global-scale, meridional circulation on the SAO time scale. The results suggest that polar stratospheric warmings are an important source of SAO in both high and low latitude stratospheric temperature fields. Interannual variations, three-dimensional phase structure, and zonal asymmetry of SAO are also detailed. The SH stratospheric SAO is dominated by a localized feature in the high-latitude, eastern hemisphere which tilts westward with height.

  11. Middle atmosphere dynamical sources of the semiannual oscillation in the thermosphere and ionosphere

    NASA Astrophysics Data System (ADS)

    Jones, M.; Emmert, J. T.; Drob, D. P.; Siskind, D. E.

    2017-01-01

    The strong global semiannual oscillation (SAO) in thermospheric density has been observed for five decades, but definitive knowledge of its source has been elusive. We use the National Center of Atmospheric Research thermosphere-ionosphere-mesosphere electrodynamics general circulation model (TIME-GCM) to study how middle atmospheric dynamics generate the SAO in the thermosphere-ionosphere (T-I). The "standard" TIME-GCM simulates, from first principles, SAOs in thermospheric mass density and ionospheric total electron content that agree well with observed climatological variations. Diagnosis of the globally averaged continuity equation for atomic oxygen ([O]) shows that the T-I SAO originates in the upper mesosphere, where an SAO in [O] is forced by nonlinear, resolved-scale variations in the advective, net tidal, and diffusive transport of O. Contrary to earlier hypotheses, TIME-GCM simulations demonstrate that intra-annually varying eddy diffusion by breaking gravity waves may not be the primary driver of the T-I SAO: A pronounced SAO is produced without parameterized gravity waves.

  12. Fusion reactor materials semiannual progress report for period ending September 30, 1990

    SciTech Connect

    Not Available

    1991-04-01

    This is the ninth in series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following technical progress reports: Alloy Development of Irradiation Performance; Damage Analysis and Fundamental Studies; and Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  13. Office of Inspector General semiannual report to Congress, April 1--September 30, 1998

    SciTech Connect

    1998-10-01

    This Semiannual Report to Congress covers the period April 1 to September 30, 1998. The report summarizes significant Office of Inspector General (OIG) audit, inspection, and investigative accomplishments for the reporting period.These OIG efforts facilitated Department of Energy (DOE) efforts to improve the overall management of its programs. The OIG has developed a Strategic Plan which sets out its overall goals and objectives. The Office`s significant accomplishments are grouped by the strategic goals against which the OIG measures its performance. Highlights are presented on the following items: prime contractor fees policy strengthening; low-level and low-level mixed waste management program improvement; hazardous waste training agreement cost $6 million more than necessary; controls over architect-engineering costs improvement; funds expended contrary to Congressional direction and internal budget execution guidelines; company mischarges costs on several federal contracts; year 2000 computer issues; Qui Tam investigations; task force investigations; financial assistance grantees; DOE suspect/counterfeit items information trending and analysis; and management information systems.

  14. Preparing for a Semiannual IACUC Inspection of a Satellite Zebrafish (Danio rerio) Facility

    PubMed Central

    Koerber, Amy S; Kalishman, Jennifer

    2009-01-01

    Institutions worldwide have experienced a rapid growth in the use of zebrafish as a research model for a variety of molecular and genetic studies of vertebrate development. This expansion in zebrafish research essentially has outpaced the establishment of specific recommendations for the care and use of fish in research. In some cases, this situation has created a dilemma where an Institutional Animal Care and Use Committee, which is responsible for oversight of vertebrate animal research, is not fully prepared to undertake this role for a decentralized zebrafish facility. IACUC inspectors will be more equipped to ask pertinent questions by understanding the basic principles of zebrafish health and facility management. Concurrently, zebrafish facility managers can contribute to the progress of a semiannual facility inspection by maintaining fully accessible operating records. In the context of presenting a well-established and useful model of zebrafish management and recordkeeping to the zebrafish facility operator, the information we present here also prepares a potential IACUC inspector to conduct a constructive and positive inspection. PMID:19245754

  15. Fusion materials semiannual progress report for the period ending December 31, 1996

    SciTech Connect

    1997-04-01

    This is the twenty-first in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The report covers the following topics: vanadium alloys; silicon carbide composite materials; ferritic/martensitic steels; copper alloys and high heat flux materials; austenitic stainless steels; insulating ceramics and optical materials; solid breeding materials; radiation effects, mechanistic studies and experimental methods; dosimetry, damage parameters, and activation calculations; materials engineering and design requirements; and irradiation facilities, test matrices, and experimental methods.

  16. Fusion materials semiannual progress report for the period ending December 31, 1997

    SciTech Connect

    Burn, G.

    1998-03-01

    This is the twenty-third in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Materials Program is a national effort involving several national laboratories, universities, and industries. A large fraction of this work, particularly in relation to fission reactor experiments, is carried out collaboratively with their partners in Japan, Russia, and the European Union. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  17. TFE Verification Program. Semiannual report for the period ending March 31, 1993

    SciTech Connect

    Not Available

    1993-05-01

    The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE (thermionic fuel element) suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. The TFE Verification Program builds directly on the technology and data base developed in the 1960s and early 1970s in an AEC/NASA program, and in the SP-100 program conducted in 1983, 1984 and 1985. In the SP-100 program, the attractive features of thermionic power conversion technology were recognized but concern was expressed over the lack of fast reactor irradiation data. The TFE Verification Program addresses this concern.

  18. Fusion reactor materials semiannual progress report for the period ending September 30, 1989

    SciTech Connect

    none,

    1989-01-01

    This is the seventh in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following technical progress reports: alloy development for irradiation performance, damage analysis and fundamental studies, and special purpose materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  19. Fusion Reactor Materials semiannual progress report for the period ending March 31, 1992

    SciTech Connect

    Not Available

    1992-07-01

    This is the twelfth in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following progress reports: Alloy Development for Irradiation Performance; Damage Analysis and Fundamental Studies; and Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  20. Fusion reactor materials semiannual progress report for the period ending March 31, 1991

    SciTech Connect

    none,

    1991-07-01

    This is the tenth in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following progress reports: alloy development for irradiation performance; damage analysis and fundamental studies; special purpose materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of program participants, and to provide a means of communicating the efforts of materials scientists to the test of the fusion community, both nationally and worldwide.

  1. Sensitively monitoring photodegradation process of organic dye molecules by surface-enhanced Raman spectroscopy based on Fe3O4@SiO2@TiO2@Ag particle.

    PubMed

    Qin, Suhua; Cai, Wenya; Tang, Xianghu; Yang, Liangbao

    2014-11-07

    Photodegradation of organic dye molecules has attracted extensive attention because of their high toxicity to water resources. Compared with traditional UV-visible spectroscopy, SERS technology can reflect more sensitively the catalytic degradation process occurring on the surface of the catalysts. In this paper, we report the synthesis and structure of Fe3O4@SiO2@TiO2@Ag composite, which integrates SERS active Ag nanostructure with catalytically active titania. The degradation of the typical dye molecule crystal violet (CV), as an example, is investigated in the presence of the as-prepared Fe3O4@SiO2@TiO2@Ag composite structure, which exhibits high catalytic activity and good SERS performance. At the same time, renewable photocatalytic activity was also investigated.

  2. DNA sequences, recombinant DNA molecules and processes for producing the A and B subunits of cholera toxin and preparations containing so-obtained subunit or subunits

    SciTech Connect

    Harford, N.; De Wilde, M.

    1987-05-19

    A recombinant DNA molecule is described comprising at least a portion coding for subunits A and B of cholera toxin, or a fragment or derivative of the portion wherein the fragment or derivative codes for a polypeptide have an activity which can induce an immune response to subunit A; can induce an immune response to subunit A and cause epithelial cell penetration and the enzymatic effect leading to net loss of fluid into the gut lumen; can bind to the membrane receptor for the B subunit of cholera toxin; can induce an immune response to subunit B; can induce an immune response to subunit B and bind to the membrane receptor; or has a combination of the activities.

  3. Single-molecule spectroscopy and femtosecond transient absorption studies on the excitation energy transfer process in ApcE(1-240) dimers.

    PubMed

    Long, Saran; Zhou, Meng; Tang, Kun; Zeng, Xiao-Li; Niu, Yingli; Guo, Qianjin; Zhao, Kai-Hong; Xia, Andong

    2015-05-28

    ApcE(1-240) dimers with one intrinsic phycocyanobilin (PCB) chromophore in each monomer that is truncated from the core-membrane linker (ApcE) of phycobilisomes (PBS) in Nostoc sp. PCC 7120 show a sharp and significantly red-shifted absorption. Two explanations either conformation-dependent Förster resonance energy transfer (FRET) or the strong exciton coupling limit have been proposed for red-shifted absorption. This is a classic example of the special pair in the photosynthetic light harvesting proteins, but the mechanism of this interaction is still a matter of intense debate. We report the studies using single-molecule and transient absorption spectra on the interaction in the special pair of ApcE dimers. Our results demonstrate the presence of conformation-dependent FRET between the two PCB chromophores in ApcE dimers. The broad distributions of fluorescence intensities, lifetimes and polarization difference from single-molecule measurements reveal the heterogeneity of local protein-pigment environments in ApcE dimers, where the same molecular structures but different protein environments are the main reason for the two PCB chromophores with different spectral properties. The excitation energy transfer rate between the donor and the acceptor about (110 ps)(-1) is determined from transient absorption measurements. The red-shifted absorption in ApcE dimers could result from more extending conformation, which shows another type of absorption redshift that does not depend on strong exciton coupling. The results here stress the importance of conformation-controlled spectral properties of the chemically identical chromophores, which could be a general feature to control energy/electron transfer, widely existing in the light harvesting complexes.

  4. Program for the improvement of downhole drilling motor bearings and seals. Phase IV. Semi-annual report

    SciTech Connect

    Tibbitts, G.A.; DeLafosse, P.H.; Black, A.; Green, S.J.

    1980-07-01

    Four main areas of development for the project are covered: design and fabrication of a dynamometer and a mud cooling system for the Bearing-Seal Package Test Facility; modification of the Bearing-Seal Package Test Facility based on test results; testing of new lubricant samples from Pacer Lubricants, Inc., in the Terra Tek High Temperature Lubricant Tester; and testing of new seal types in the Terra Tek Sea Tester. The Maurer Engineering Report, Semi-Annual Progress Report on Improvement of Downhole Motor Bearings and Seals by Jeff L. Barnwell, has been included as Appendix B.

  5. [Adhesion molecules and diabetes mellitus].

    PubMed

    Urso, C; Hopps, E; Caimi, G

    2010-01-01

    Adhesion molecules play a significant role in leukocyte migration across the endothelium and are also involved in regulating immune system. It is shown that diabetic patients have an increase of soluble adhesion molecules (sICAM-1, sICAM-2, sVCAM-1, sE-selectin, sL-selectin, sP-selectin) considered an integral part of inflammatory state. This inflammation is responsible for the increased cardiovascular risk of these patients. There is a close link between hyperglycemia, oxidative stress, coagulopathy and inflammation and between these factors and the vascular damage. Various studies have showed the potential role of adhesion molecules in the pathogenesis of diabetic vasculopathy. They promote leukocyte recruitment, which is one of the initial steps in the genesis of atherosclerotic plaque. Adhesion molecules are also involved in the pathogenesis of diabetes mellitus type 1; sICAM-1 would have a particular immunomodulatory role in the process of destroying beta-cells and could be used as a subclinical marker of insulitis. Plasma levels of soluble adhesion molecules correlate with hyperglycemia, insulin resistance, dyslipidemia and obesity; they are associated with the development of nephropathy, retinopathy, myocardial infarction, stroke and obliterant peripheral arterial disease in diabetic type 1 and 2. Given the role of these molecules in endothelial dysfunction genesis and tissue damage associated with diabetes, they could constitute a therapeutic target for the prevention of genesis and progression of chronic complications of diabetic disease.

  6. A study of dipolar interactions and dynamic processes of water molecules in tendon by 1H and 2H homonuclear and heteronuclear multiple-quantum-filtered NMR spectroscopy.

    PubMed

    Eliav, U; Navon, G

    1999-04-01

    The effect of proton exchange on the measurement of 1H-1H, 1H-2H, and 2H-2H residual dipolar interactions in water molecules in bovine Achilles tendons was investigated using double-quantum-filtered (DQF) NMR and new pulse sequences based on heteronuclear and homonuclear multiple-quantum filtering (MQF). Derivation of theoretical expressions for these techniques allowed evaluation of the 1H-1H and 1H-2H residual dipolar interactions and the proton exchange rate at a temperature of 24 degrees C and above, where no dipolar splitting is evident. The values obtained for these parameters at 24 degrees C were 300 and 50 Hz and 3000 s-1, respectively. The results for the residual dipolar interactions were verified by repeating the above measurements at a temperature of 1.5 degrees C, where the spectra of the H2O molecules were well resolved, so that the 1H-1H dipolar interaction could be determined directly from the observed splitting. Analysis of the MQF experiments at 1.5 degrees C, where the proton exchange was in the intermediate regime for the 1H-2H dipolar interaction, confirmed the result obtained at 24 degrees C for this interaction. A strong dependence of the intensities of the MQF signals on the proton exchange rate, in the intermediate and the fast exchange regimes, was observed and theoretically interpreted. This leads to the conclusion that the MQF techniques are mostly useful for tissues where the residual dipolar interaction is not significantly smaller than the proton exchange rate. Dependence of the relaxation times and signal intensities of the MQF experiments on the orientation of the tendon with respect to the magnetic field was observed and analyzed. One of the results of the theoretical analysis is that, in the fast exchange regime, the signal decay rates in the MQF experiments as well as in the spin echo or CPMG pulse sequences (T2) depend on the orientation as the square of the second-rank Legendre polynomial.

  7. Biochips - Can molecules compute?

    NASA Astrophysics Data System (ADS)

    Tucker, J. B.

    1984-02-01

    In recent years the possibility has been considered to build 'biochip' computers, in which the silicon transistors of present machines would be replaced by large organic molecules or genetically engineered proteins. Two major advantages of such biochips over current devices would be related to vastly increased densities of computing elements, and entirely new styles of data processing, suited to such high-level tasks as pattern recognition and context-dependent analysis. The limitations of the semiconductor chip with respect to the density of elementary units due to size considerations and heat development could be overcome by making use of molecular switches. Attention is given to soliton switching, soliton logic, bulk molecular devices, analog biochips, 'intelligent' switches based on the employment of enzymes, robot vision, questions of biochip fabrication, protein engineering, and a strategy for the development of biochips.

  8. Tackling the aging process with bio-molecules: a possible role for caloric restriction, food-derived nutrients, vitamins, amino acids, peptides, and minerals.

    PubMed

    Dabhade, Prachi; Kotwal, Swati

    2013-01-01

    Aging is a multifactorial process leading to general deterioration in many tissues and organs, accompanied by an increased incidence and severity of a wide variety of chronic, incurable, and often fatal diseases. A possibility of slowing down the aging process and improving the quality of life in old age by nutritional intervention has renewed the interest of the scientific world in anti-aging therapies. These include potential dietary interventions, adherence to nutrition, hormonal and cell-based therapies, genetic manipulations, and anti-aging supplements or nutrients. This review addresses strategies to slow the aging process by caloric restriction and the use of nutritional supplements.

  9. 17 CFR 270.30b1-2 - Semi-annual report for totally-owned registered management investment company subsidiary of...

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...-owned registered management investment company subsidiary of registered management investment company...-owned registered management investment company subsidiary of registered management investment company... subsidiary of a registered management investment company need not file a semi-annual report on Form N-SAR...

  10. 17 CFR 270.30b1-2 - Semi-annual report for totally-owned registered management investment company subsidiary of...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...-owned registered management investment company subsidiary of registered management investment company...-owned registered management investment company subsidiary of registered management investment company... subsidiary of a registered management investment company need not file a semi-annual report on Form N-SAR...

  11. U.S. Department of Education, Office of the Inspector General Semiannual Report to Congress: No. 50, October 1, 2004-March 31, 2005

    ERIC Educational Resources Information Center

    US Department of Education, 2005

    2005-01-01

    This document presents the 50th semiannual report on the activities and accomplishments of the Office of Inspector General (OIG), U.S. Department of Education (Department). During this reporting period, the OIG issued 123 audits, inspection reports and memoranda, and closed 95 investigations. As detailed in this report, this office continues to…

  12. Electrochromic Graphene Molecules

    DOE PAGES

    Ji, Zhiqiang; Doorn, Stephen K.; Sykora, Milan

    2015-03-13

    Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were foundmore » to be E1,ox 0 = 0.77± 0.01 V and E2,ox 0 = 1.24 ± 0.02 V vs. NHE for the first and second oxidation and E1,red 0 = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.« less

  13. Autonomous DNA-Molecule Computing

    NASA Astrophysics Data System (ADS)

    Komiya, Ken; Rose, John A.; Yamamura, Masayuki

    DNA molecules autonomously change their forms from the single strand to the double helix by specific binding between complementary sequences according to the Watson-Crick base pairing rule. This paring rule allows us to control connections among molecules and to construct various structures by sequence design. Further, the motion of constructed structures can also be designed by considering sequential bindings. Recently, the feasibility to utilize the programmed DNA structural change for information processing was studied. In the present paper, we report an efficient synthetic chain reaction based on autonomous binding of DNA to realize a computing system, which enable us to implement computational intelligence in vitro.

  14. Bacterial invasion reconstructed molecule by molecule

    SciTech Connect

    Werner, James H

    2009-01-01

    We propose to visualize the initial stages of bacterial infection of a human host cell with unmatched spatial and temporal resolution. This work will develop a new capability for the laboratory (super-resolution optical imaging), will test unresolved scientific hypotheses regarding host-pathogen interaction dynamics, and leverages state of the art 3D molecular tracking instrumentation developed recently by our group. There is much to be gained by applying new single molecule tools to the important and familiar problem of pathogen entry into a host cell. For example, conventional fluorescence microscopy has identified key host receptors, such as CD44 and {alpha}5{beta}1 integrin, that aggregate near the site of Salmonella typhimurium infection of human cells. However, due to the small size of the bacteria ({approx} 2 {micro}m) and the diffraction of the emitted light, one just sees a fluorescent 'blob' of host receptors that aggregate at the site of attachment, making it difficult to determine the exact number of receptors present or whether there is any particular spatial arrangement of the receptors that facilitates bacterial adhesion/entry. Using newly developed single molecule based super-resolution imaging methods, we will visualize how host receptors are directed to the site of pathogen adhesion and whether host receptors adopt a specific spatial arrangement for successful infection. Furthermore, we will employ our 3D molecular tracking methods to follow the injection of virulence proteins, or effectors, into the host cell by the pathogen Type III secretion system (TTSS). We expect these studies to provide mechanistic insights into the early events of pathogen infection that have here-to-fore been technically beyond our reach. Our Research Goals are: Goal 1--Construct a super-resolution fluorescence microscope and use this new capability to image the spatial distribution of different host receptors (e.g. CD44, as {alpha}5{beta}1 integrin) at the point of

  15. Energy-efficiency testing activities of the Mobile Energy Laboratory - Semiannual Report: April 1, 1990, Through September 30, 1990

    SciTech Connect

    Parker, G.B.; Currie, J.W.

    1991-03-01

    This report summarizes energy-efficiency testing activities applying the Mobile Energy Laboratory (MEL) testing capabilities during the third and fourth quarters of fiscal year (FY) 1990. The MELs, developed by the US Department of Energy (DOE) Federal Energy Management Program (FEMP), are administered by Pacific Northwest Laboratory (PNL) and the Naval Energy and Environmental Support Activity (NEESA) for energy testing and energy conservation program support functions at federal facilities. MELs are equipped for the on-site evaluation of energy use efficiency. The using agencies principally fund MEL applications, while DOE/FEMP funds program administration and capability enhancement activities. This report fulfills the requirements established in Section 8 of the MEL Use Plan (PNL-6861) for semiannual reporting on energy-efficiency testing activities using the MEL capabilities. The MEL Use Committee, formally established in 1989, developed the MEL Use Plan and meets semiannually to establish priorities for energy-efficient testing applications using the MEL capabilities. This report describes the testing, test results, and suggested courses of action.

  16. Small molecule fluoride toxicity agonists.

    PubMed

    Nelson, James W; Plummer, Mark S; Blount, Kenneth F; Ames, Tyler D; Breaker, Ronald R

    2015-04-23

    Fluoride is a ubiquitous anion that inhibits a wide variety of metabolic processes. Here, we report the identification of a series of compounds that enhance fluoride toxicity in Escherichia coli and Streptococcus mutans. These molecules were isolated by using a high-throughput screen (HTS) for compounds that increase intracellular fluoride levels as determined via a fluoride riboswitch reporter fusion construct. A series of derivatives were synthesized to examine structure-activity relationships, leading to the identification of compounds with improved activity. Thus, we demonstrate that small molecule fluoride toxicity agonists can be identified by HTS from existing chemical libraries by exploiting a natural fluoride riboswitch. In addition, our findings suggest that some molecules might be further optimized to function as binary antibacterial agents when combined with fluoride.

  17. Small Molecule Fluoride Toxicity Agonists

    PubMed Central

    Nelson1, James W.; Plummer, Mark S.; Blount, Kenneth F.; Ames, Tyler D.; Breaker, Ronald R.

    2015-01-01

    SUMMARY Fluoride is a ubiquitous anion that inhibits a wide variety of metabolic processes. Here we report the identification of a series of compounds that enhance fluoride toxicity in Escherichia coli and Streptococcus mutans. These molecules were isolated by using a high-throughput screen (HTS) for compounds that increase intracellular fluoride levels as determined via a fluoride riboswitch-reporter fusion construct. A series of derivatives were synthesized to examine structure-activity relationships, leading to the identification of compounds with improved activity. Thus, we demonstrate that small molecule fluoride toxicity agonists can be identified by HTS from existing chemical libraries by exploiting a natural fluoride riboswitch. In addition, our findings suggest that some molecules might be further optimized to function as binary antibacterial agents when combined with fluoride. PMID:25910244

  18. Formation of Ultracold Molecules

    SciTech Connect

    Cote, Robin

    2016-01-28

    Advances in our ability to slow down and cool atoms and molecules to ultracold temperatures have paved the way to a revolution in basic research on molecules. Ultracold molecules are sensitive of very weak interactions, even when separated by large distances, which allow studies of the effect of those interactions on the behavior of molecules. In this program, we have explored ways to form ultracold molecules starting from pairs of atoms that have already reached the ultracold regime. We devised methods that enhance the efficiency of ultracold molecule production, for example by tuning external magnetic fields and using appropriate laser excitations. We also investigates the properties of those ultracold molecules, especially their de-excitation into stable molecules. We studied the possibility of creating new classes of ultra-long range molecules, named macrodimers, thousand times more extended than regular molecules. Again, such objects are possible because ultra low temperatures prevent their breakup by collision. Finally, we carried out calculations on how chemical reactions are affected and modified at ultracold temperatures. Normally, reactions become less effective as the temperature decreases, but at ultracold temperatures, they can become very effective. We studied this counter-intuitive behavior for benchmark chemical reactions involving molecular hydrogen.

  19. Current status and future perspectives of electron interactions with molecules, clusters, surfaces, and interfaces [Workshop on Fundamental challenges in electron-driven chemistry; Workshop on Electron-driven processes: Scientific challenges and technological opportunities

    SciTech Connect

    Becker, Kurt H.; McCurdy, C. William; Orlando, Thomas M.; Rescigno, Thomas N.

    2000-09-01

    This report is based largely on presentations and discussions at two workshops and contributions from workshop participants. The workshop on Fundamental Challenges in Electron-Driven Chemistry was held in Berkeley, October 9-10, 1998, and addressed questions regarding theory, computation, and simulation. The workshop on Electron-Driven Processes: Scientific Challenges and Technological Opportunities was held at Stevens Institute of Technology, March 16-17, 2000, and focused largely on experiments. Electron-molecule and electron-atom collisions initiate and drive almost all the relevant chemical processes associated with radiation chemistry, environmental chemistry, stability of waste repositories, plasma-enhanced chemical vapor deposition, plasma processing of materials for microelectronic devices and other applications, and novel light sources for research purposes (e.g. excimer lamps in the extreme ultraviolet) and in everyday lighting applications. The life sciences are a rapidly advancing field where the important role of electron-driven processes is only now beginning to be recognized. Many of the applications of electron-initiated chemical processes require results in the near term. A large-scale, multidisciplinary and collaborative effort should be mounted to solve these problems in a timely way so that their solution will have the needed impact on the urgent questions of understanding the physico-chemical processes initiated and driven by electron interactions.

  20. Production and Trapping of Ultracold Polar Molecules

    SciTech Connect

    David, DeMille

    2015-04-21

    We report a set of experiments aimed at the production and trapping of ultracold polar molecules. We begin with samples of laser-cooled and trapped Rb and Cs atoms, and bind them together to form polar RbCs molecules. The binding is accomplished via photoassociation, which uses a laser to catalyze the sticking process. We report results from investigation of a new pathway for photoassociation that can produce molecules in their absolute ground state of vibrational and rotational motion. We also report preliminary observations of collisions between these ground-state molecules and co-trapped atoms.

  1. Electrochromic Graphene Molecules

    SciTech Connect

    Ji, Zhiqiang; Doorn, Stephen K.; Sykora, Milan

    2015-03-13

    Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were found to be E1,ox 0 = 0.77± 0.01 V and E2,ox 0 = 1.24 ± 0.02 V vs. NHE for the first and second oxidation and E1,red 0 = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.

  2. Dependence of radiative stabilization on the projectile charge state after double-electron-transfer processes in slow, highly charged ion-molecule collisions

    NASA Astrophysics Data System (ADS)

    Krok, Franciszek; Tolstikhina, Inga Yu.; Sakaue, Hiroyuki A.; Yamada, Ichihiro; Hosaka, Kazumoto; Kimura, Masahiro; Nakamura, Nobuyuki; Ohtani, Shunsuke; Tawara, Hiroyuki

    1997-12-01

    We have measured the radiative stabilization probabilities after double-electron-transfer processes in slow (1.5q keV) Iq++CO collisions in the charge-state regime 8<=q<=26 by using the charge-selected-projectile-recoil-ion-coincidence method. It was found that the radiative stabilization probabilities Prad, defined as Prad=TDC/(TDC+ADC) (TDC is true double capture, and ADC autoionizing double capture), increases from about 1% at the lowest charge up to about 10% at the highest charge as the charge state of the projectile increases. A model is proposed which can explain such a feature, by incorporating a slight modification of the initial population of the transferred levels in the projectile predicted in the extended classical over-barrier model. Based upon the present model, theoretical radiative and autoionization decay rates have been calculated, using the Cowan code. Fairly good agreement between the measured and calculated results has been obtained.

  3. Vibrational effect on charge-transfer processes in collisions of H{sup +} and O{sup +} ions with C{sub 2}H{sub 4} molecules at energies below 10 keV/u

    SciTech Connect

    Kusakabe, Toshio; Gotanda, Kazushi; Kimura, Mineo; Rai, Sachchida N.; Liebermann, Heinz-Peter; Buenker, Robert J.

    2007-10-15

    Charge-transfer processes in collisions of H{sup +} and O{sup +} ions with C{sub 2}H{sub 4} molecules have been studied in joint theoretical and experimental approaches for collision energies below 10 keV/u. Since H and O atoms possess nearly identical ionization potentials, these two ions are expected to share similar dynamics and hence to have similar cross-section values for charge transfer, at least for the energy region above 100 eV. In the present experiments, these cross sections of H{sup +} and O{sup +} ions have been derived by the initial growth rate method in the energy range of 0.20 to 3.6 keV, while the present theoretical study has been carried out for H{sup +} impact only. We have examined the vibrational effect on charge transfer, especially the 'temperature effect' of the initial vibrational states of the C{sub 2}H{sub 4} molecule as well as the final vibrational states of the product C{sub 2}H{sub 4}{sup +} molecular ion. Indeed, a strong influence of the initial vibrational states on charge transfer has been observed since these vibrationally excited initial and final states force the process to be more nearly resonant, thus making charge transfer more efficient. This vibrational effect, and perhaps rotational effect as well, that makes the collision process more nearly resonant has not been well investigated previously, and thus the present study is expected to shed much light on this effect in general.

  4. Enzymatic DNA molecules

    NASA Technical Reports Server (NTRS)

    Joyce, Gerald F. (Inventor); Breaker, Ronald R. (Inventor)

    1998-01-01

    The present invention discloses deoxyribonucleic acid enzymes--catalytic or enzymatic DNA molecules--capable of cleaving nucleic acid sequences or molecules, particularly RNA, in a site-specific manner, as well as compositions including same. Methods of making and using the disclosed enzymes and compositions are also disclosed.

  5. Molecules between the Stars.

    ERIC Educational Resources Information Center

    Verschuur, Gerrit L.

    1987-01-01

    Provides a listing of molecules discovered to date in the vast interstellar clouds of dust and gas. Emphasizes the recent discoveries of organic molecules. Discusses molecular spectral lines, MASERs (microwave amplification by stimulated emission of radiation), molecular clouds, and star birth. (TW)

  6. A novel D2-A-D1-A-D2-type donor-acceptor conjugated small molecule based on a benzo[1,2-b:4,5-b‧]dithiophene core for solution processed organic photovoltaic cells

    NASA Astrophysics Data System (ADS)

    Yu, Junting; Zhu, Weiguo; Tan, Hua; Peng, Qing

    2017-01-01

    A novel D2-A-D1-A-D2-type donor-acceptor conjugated small molecule (DTPA-Q-BDT-Q-DTPA) with a benzo[1,2-b:4,5-b‧]dithiophene (BDT) core and two D2-A arms has been synthesized and employed as electron donor for organic solar cells. Solution-processed organic photovoltaic (OPV) devices were fabricated with a configuration of ITO/PEDOT:PSS/DTPA-Q-BDT-Q-DTPA:[6,6]-phenyl-C61-butyric acid methyl ester (PC61BM)/LiF/Al. A power conversion efficiency (PCE) of 1.22% with an open-circuit voltage (VOC) of 0.64 V, a short-circuit current (JSC) of 6.10 mA cm-2, and a fill factor (FF) of 31.0% was achieved. The PCE is 2.9 times higher than that in the other devices using D2-A-type small molecule TPA-Q-TPA as donor.

  7. Porous organic molecules

    NASA Astrophysics Data System (ADS)

    Holst, James R.; Trewin, Abbie; Cooper, Andrew I.

    2010-11-01

    Most synthetic materials that show molecular-scale porosity consist of one-, two- or three-dimensional networks. Porous metal-organic frameworks in particular have attracted a lot of recent attention. By contrast, discrete molecules tend to pack efficiently in the solid state, leaving as little empty space as possible, which leads to non-porous materials. This Perspective discusses recent developments with discrete organic molecules that are porous in the solid state. Such molecules, which may be either crystalline or amorphous, can be categorized as either intrinsically porous (containing permanent covalent cavities) or extrinsically porous (inefficiently packed). We focus on the possible advantages of organic molecules over inorganic or hybrid systems in terms of molecular solubility, choice of components and functionalities, and structural mobility and responsiveness in non-covalent extended solids. We also highlight the potential for 'undiscovered' porous systems among the large number of cage-like organic molecules that are already known.

  8. Targeting Syndecan-1, a molecule implicated in the process of vasculogenic mimicry, enhances the therapeutic efficacy of the L19-IL2 immunocytokine in human melanoma xenografts

    PubMed Central

    Orecchia, Paola; Conte, Romana; Balza, Enrica; Pietra, Gabriella; Mingari, Maria Cristina; Carnemolla, Barbara

    2015-01-01

    Anti-angiogenic therapy of solid tumors has until now failed to produce the long lasting clinical benefits desired, possibly due to the complexity of the neoangiogenic process. Indeed, a prominent role is played by “vasculogenic” or “vascular” mimicry (VM), a phenomenon in which aggressive cancer cells form an alternative microvascular circulation, independently of endothelial cell angiogenesis. In this study we observed, in melanoma patient cell lines having vasculogenic/stem-cell like phenotype and in melanoma tumors, the syndecan-1 co-expression with VM markers, such as CD144 and VEGFR-2. We show that melanoma cells lose their ability to form tubule-like structures in vitro after blocking syndecan-1 activity by the specific human recombinant antibody, OC-46F2. Moreover, in a human melanoma xenograft model, the combined therapy using OC-46F2 and L19-IL2, an immunocytokine specific for the tumor angiogenic-associated B-fibronectin isoform(B-FN), led to a complete inhibition of tumor growth until day 90 from tumor implantation in 71% of treated mice, with statistically significant differences compared to groups treated with OC-46F2 or L19-IL2 as monotherapy. Furthermore, in the tumors recovered from mice treated with OC-46F2 either as monotherapy or in combination with L19-IL2, we observed a dramatic decrease of vascular density and loss of VM structures. These findings indicate for the first time a role of syndecan-1 in melanoma VM and that targeting syndecan-1, together with B-FN, could be promising in improving the treatment of metastatic melanoma. PMID:26460958

  9. Electron interactions with polar molecules

    SciTech Connect

    Garrett, W.R.

    1981-01-01

    A description is given of a number of the features of discrete and continuous spectra of electrons interacting with polar molecules. Attention is focused on the extent to which theoretical predictions concerning cross sections, resonances, and bound states are strongly influenced by the various approximations that are so ubiquitous in the treatment of such problems. Similarly, threshold scattering and photodetachment processes are examined for the case of weakly bound dipole states whose higher members overlap the continuum.

  10. A dithieno[3,2-b:2',3'-d]pyrrole based, NIR absorbing, solution processable, small molecule donor for efficient bulk heterojunction solar cells.

    PubMed

    Busireddy, Manohar Reddy; Raju Mantena, Venkata Niladri; Chereddy, Narendra Reddy; Shanigaram, Balaiah; Kotamarthi, Bhanuprakash; Biswas, Subhayan; Sharma, Ganesh Datt; Vaidya, Jayathirtha Rao

    2016-11-30

    A novel, NIR absorbing organic small molecular donor material denoted as ICT3 with an A-D-D-D-A architecture having dithieno[3,2-b:2',3'-d]pyrrole (DTP) and butylrhodanine as donor and acceptor moieties, respectively, is synthesized and its thermal, photophysical, electrochemical and photovoltaic properties are explored. ICT3 has excellent stability over a broad range of temperatures with a decomposition temperature (Td corresponds to 5% weight loss) of 372 °C, soluble in most common organic solvents (solubility up to 30 mg mL(-1)) and suitable for solution processing during device fabrication. ICT3 has broad (520-820 nm) and intense visible region absorption (molar excitation coefficient is 1.69 × 10(5) mol(-1) cm(-1)) and has suitable HOMO and LUMO energy levels with the [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) acceptor for efficient exciton dissociation and charge transfer. Bulk heterojunction solar cells (BHJSCs) with an indium tin oxide (ITO)/poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS)/ICT3:PC71BM/poly(9,9-bis(3'-(N,N-dimethylamino)propyl)fluorene-2,7-diyl)-alt-(9,9-dioctylfluorene-2,7-diyl) (PFN)/aluminium (Al) structure are fabricated and the BHJSCs with the active layer as cast from chloroform solution displayed a power conversion efficiency (PCE) of 3.04% (JSC = 8.22 mA cm(-2), VOC = 0.86 V and FF = 0.43). Annealing the active layer significantly improved the PCE of these BHJSCs. While thermal annealing of the active layer improved the PCE of the BHJSCs to 4.94%, thermal followed by solvent vapour annealing enhanced the PCE to 6.53%. X-ray diffraction and atomic force microscopy analyses are carried out on the active layer and these results revealed that annealing treatment improves the crystallinity and nanoscale morphology of the active layer, enriches the device exciton generation and dissociation efficiency, charge transport and collection efficiency and reduces carrier recombination. The observed higher PCE (6

  11. Title V Semi-Annual Emissions Report for Permit P100R1 July 1, 2011 - December 31, 2011

    SciTech Connect

    Whetham, Walter

    2012-03-15

    Reports of actual emissions from permitted sources in Section 2.0 shall be submitted on a 6 month basis. Reports shall not include emissions from insignificant activities. Emission estimates of criteria pollutants NOx, CO, SO2, PM and VOCs shall not include fugitive emissions. Emission estimates of HAPs shall include fugitive emissions. The reports shall include a comparison of actual emissions that occurred during the reporting period with the facility-wide allowable emission limits specified in Section 2.11 of this permit. The report required by Condition 4.1 shall be submitted within 90 days from the end of the reporting period. The semiannual report required by Condition 4.2 shall be submitted within 45 days from the end of the reporting period. The reporting periods are January 1st to June 30th and July 1st to December 31st. This condition is pursuant to 20.2.70.302.E.1 NMAC.

  12. F-Area Hazardous Waste Management Facility Semiannual Corrective Action Report, First and Second Quarter 1998, Volume I and II

    SciTech Connect

    Chase, J.

    1998-10-30

    This report addresses groundwater quality and monitoring data during first and second quarter 1998 for the F-Area Hazardous Waste management Facility (HWMF). The report fulfills the semiannual reporting requirements of Module III, Section D, of the 1995 Resource Conservation and Recovery Act (RCRA) Renewal Permit (South Carolina Hazardous and Mixed Waste Permit SC1-890-008-989), effective October 5, 1995 (hereafter referred to as the RCRA permit), and Section C of the Underground Injection Control Permit Application hereafter referred to as the Section C of the Underground Injection Control Permit Application (hereafter referred to as the UIC permit). The HWMF is described in the Introduction to Module III, Section C, of the RCRA permit.

  13. Atomic Layer Epitaxy of Group IV Materials: Surface Processes, Thin Films, Devices and their Characterization

    DTIC Science & Technology

    1993-12-01

    U AD-A274 325 Semiannual Technical Report U Atomic Layer Epitaxy of Group IV Materials: Surface Processes, Thin Films, Devices and Their... Group IV Materials: Surface Processes, Thin 414v001---01 Films, Devices and Their Characterization 1114SS S. AUTHOS) N00179 Robert F. Davis, Salah... Conformal deposition of SiC has been demonstrated within trenches etched into Si(100) wafers. P-type films have also been achieved using Al as a

  14. Semi-annual sampling of Fourmile Branch and its seeplines in the F and H Areas of SRS: July 1992

    SciTech Connect

    Dixon, K.L.; Rogers, V.A.

    1994-04-01

    In July 1992, water samples were collected from Fourmile Branch (FMB) and its seeplines in the vicinity of the F and H-Area seepage basins. The samples were collected from five seepline locations in F Area, five seepline locations in H Area, and three stream locations on FMB. The sampling event was the first in a series of three semi-annual sampling event was the first in a series of three semi-annual sampling events aimed at characterizing the shallow groundwater outcropping into FMB and its wetlands. In the past, this groundwater has been shown to contain contaminants migrating from the F- and H-Area seepage basins. The samples were analyzed for Appendix 9 metals, various radionuclides, selected volatile compounds, and selected inorganic constituents and parameters. Results from the July 1992 sampling event suggest that the seeplines in both F and H Areas and FMB continue to be influenced by contaminants migrating from the F- and H-Area seepage basins. However, when compared to 1989 measurements, the concentrations of most of the constituents have declined. Contaminant concentration measured in July 1992 were compared to primary drinking water standards (PDWS), secondary drinking water standards (SDWS), and maximum contaminant levels (MCL) enforceable in 1993. Results were also compared to 1989 measurements at corresponding sampling locations and to background samples collected as part of the July 1992 sampling event. Using two different statistical tests, concentrations of selected F- and H-Area seepline analytes were compared to background samples. These tests were designed to detect if concentrations of contaminants along the F- and H-Area seeplines were greater than background concentrations.

  15. Longitudinal variations of the solar activity influence on the annual and semiannual oscillations of the prevailing wind in the middle atmosphere

    NASA Astrophysics Data System (ADS)

    Guryanov, Vladimir

    The study is based on daily Northern and Southern Hemisphere UK Met Office data of zonal and meridional winds at 25 pressure levels for the period 1992-2013 (pressure range 1000-0.316 hPa). For each year of the period, (two solar cycles) set the amplitude of annual and semiannual oscillations of the zonal and meridional winds. The amplitude was used to determine correlations with Wolf numbers. Significant positive and negative correlations were found. Character correlations for zonal and meridional wind differ and depend on the period of oscillations, geographical location and altitude. Found steady negative correlation of solar activity with semiannual oscillations of zonal wind in the tropical zone both hemispheres in the upper stratosphere. For the meridional wind there are positive correlations in the extra-tropical latitudes in the lower and middle stratosphere, especially in the Southern Hemisphere.

  16. Ion-molecule processes in lasers

    NASA Technical Reports Server (NTRS)

    Laudenslager, J. B.

    1979-01-01

    Three classes of molecular electronic transition lasers produced by hybrid pumping of high pressure rate gas mixtures are discussed. These are (1) rare gas dimer lasers (such as excited Ar2, Kr2, and Xe2) lasing in the VUV, (2) rare gas halide lasers or excimer lasers (such as KrF, ArF, and XeCl excimers) lasing in the UV, and (3) the charge transfer molecular ion laser (such as N2/+/) lasing in the visible range. Laser excitation methods and kinetic sequences are examined for these lasers.

  17. Inertial Conference Fusion Semiannual Report October 1999 - March 2000, Volume 1, Number 1

    SciTech Connect

    Miguel, Al; Carpenter, Jason; Cassady, Cindy

    2000-03-01

    This first issue of the ''ICF Semiannual Report'' contains articles whose diverse subjects attest to the broad technical and scientific challenges that are at the forefront of the ICF program at LLNL. The first article describes the progress being made at solving the surface roughness problem on capsule mandrels. All NIF capsule options, except machined beryllium, require a mandrel upon which the ablator is deposited. This mandrel sets the baseline sphericity of the final capsule. Problems involving defects in the mandrel have been overcome using various techniques so that 2-mm-size mandrels can now be made that meet the NIF design specification. The second article validates and provides a detailed numerical investigation of the shadowgraph technique currently used to diagnose the surface roughness of a fuel ice layer inside of a transparent capsule. It is crucial for the success of the indirect-drive ignition targets that the techniques used to characterize ice-surface roughness be well understood. This study identifies methods for analyzing the bright band that give an accurate measure of the ice-surface roughness. The third article describes a series of realistic laser and target modifications that can lead to 3-4 times more energy coupling and 10 times greater yield from a NIF indirect-drive ignition target. Target modifications include using various mixtures of rare-earth and other high-Z metals as hohlraum wall material and adjusting the laser-entrance-hole size and the case-to-capsule size ratio. Each option is numerically examined separately and together. The fourth article reviews how detailed x-ray and Thomson scattering measurements from a high-density and high-temperature gasbag plasma are used to test spectroscopic modeling techniques. There is good agreement between the model and experimental dielectronic capture satellite intensities. However, improvements are required in the modeling of inner shell collisionally populated satellite states. These

  18. Inspector General Semiannual Report to Congress - October 1, 2008 - March 31, 2009

    SciTech Connect

    2008-10-01

    On behalf of the Department of Energy's Office of Inspector General, I am pleased to submit our Semiannual Report to Congress for the period ending March 31, 2009. The Report highlights key accomplishments of the Office of Inspector General, particularly pertaining to our efforts to ensure the economy, efficiency, and effectiveness of Department of Energy operations. Details pertaining to some of our most significant reviews and projects are presented in the Report. This reporting period has been quite eventful. On February 17, 2009, the President signed the American Recovery and Reinvestment Act of 2009. The stated intent of this new legislation is to strengthen the U.S. economy through the creation of new jobs, aiding State and local governments with budget shortfalls, cutting taxes for working families, and investing in the long-term health of the Nation's economic prosperity. The Recovery Act establishes the status of the Nation's energy supply as a prime focus. Specifically, the Department of Energy will receive approximately $40 billion for various energy, environmental, and science programs and initiatives. The passage of this legislation makes the coming months an exciting and transformative time for the Department of Energy and the Office of Inspector General. In recognition of the need for effective oversight to protect taxpayer interests, the Recovery Act includes the creation of the Recovery Act Accountability and Transparency Board and mandates specific actions by the Inspectors General. I will be a permanent member of this newly created Board, along with nine other Inspectors General whose agencies are significant recipients of Recovery Act funds. Since the passage of the legislation, my office has developed a strategy consistent with the objectives outlined in the Recovery Act. The overarching goal of the strategy is to ensure that the taxpayers interests relating to the performance and results of the Recovery Act are protected. During this reporting

  19. Superresolution Imaging using Single-Molecule Localization

    PubMed Central

    Patterson, George; Davidson, Michael; Manley, Suliana; Lippincott-Schwartz, Jennifer

    2013-01-01

    Superresolution imaging is a rapidly emerging new field of microscopy that dramatically improves the spatial resolution of light microscopy by over an order of magnitude (∼10–20-nm resolution), allowing biological processes to be described at the molecular scale. Here, we discuss a form of superresolution microscopy based on the controlled activation and sampling of sparse subsets of photoconvertible fluorescent molecules. In this single-molecule based imaging approach, a wide variety of probes have proved valuable, ranging from genetically encodable photoactivatable fluorescent proteins to photoswitchable cyanine dyes. These have been used in diverse applications of superresolution imaging: from three-dimensional, multicolor molecule localization to tracking of nanometric structures and molecules in living cells. Single-molecule-based superresolution imaging thus offers exciting possibilities for obtaining molecular-scale information on biological events occurring at variable timescales. PMID:20055680

  20. Mechanobiology of Short DNA Molecules: A Single Molecule Perspective

    NASA Astrophysics Data System (ADS)

    Raghunathan, Krishnan

    Mechanical properties of DNA are known to play a significant role in several biological processes like wrapping of DNA around histones and looping. Most of these cellular events occur on a DNA length scale of a few hundred basepairs. Single molecule methods have been highly successful in directly investigating heterogeneity in different biomolecular systems and serve as ideal tools to study the mechanical properties of DNA. However, their use in studying DNA of contour lengths less than a kilobase are fraught with experimental difficulties. The research presented in this thesis explores the behavior of short stretches of DNA (≤ 500bp) using existing and novel single molecule methods. We have quantified the variation in persistence lengths between sequences having different elasticity using a constant force axial optical tweezers. Our experiments have also revealed that this difference in persistence lengths manifests itself as a difference in looping lifetimes of lac repressor, in sequences having the aforementioned constructs as the intervening sequence between the operator sites. We have also developed a system to probe DNA dynamics in vivo. We have found that the active processes in the cell have distinct effects on dynamics of DNA and eliminating the active processes causes a 'phase transition' like behavior in the inside the cell. We are currently extending this technique to understand DNA dynamics inside bacterial systems. Our results provide vital insights into mechanical properties of DNA and the effect of athermal fluctuations on DNA dynamics.

  1. Decelerating and Trapping Large Polar Molecules.

    PubMed

    Patterson, David

    2016-11-18

    Manipulating the motion of large polyatomic molecules, such as benzonitrile (C6 H5 CN), presents significant difficulties compared to the manipulation of diatomic molecules. Although recent impressive results have demonstrated manipulation, trapping, and cooling of molecules as large as CH3 F, no general technique for trapping such molecules has been demonstrated, and cold neutral molecules larger than 5 atoms have not been trapped (M. Zeppenfeld, B. G. U. Englert, R. Glöckner, A. Prehn, M. Mielenz, C. Sommer, L. D. van Buuren, M. Motsch, G. Rempe, Nature 2012, 491, 570-573). In particular, extending Stark deceleration and electrostatic trapping to such species remains challenging. Here, we propose to combine a novel "asymmetric doublet state" Stark decelerator with recently demonstrated slow, cold, buffer-gas-cooled beams of closed-shell volatile molecules to realize a general system for decelerating and trapping samples of a broad range of volatile neutral polar prolate asymmetric top molecules. The technique is applicable to most stable volatile molecules in the 100-500 AMU range, and would be capable of producing trapped samples in a single rotational state and at a motional temperature of hundreds of mK. Such samples would immediately allow for spectroscopy of unprecedented resolution, and extensions would allow for further cooling and direct observation of slow intramolecular processes such as vibrational relaxation and Hertz-level tunneling dynamics.

  2. Positronium ions and molecules

    NASA Technical Reports Server (NTRS)

    Ho, Y. K.

    1990-01-01

    Recent theoretical studies on positronium ions and molecules are discussed. A positronium ion is a three particle system consisting of two electrons in singlet spin state, and a positron. Recent studies include calculations of its binding energy, positron annihilation rate, and investigations of its doubly excited resonant states. A positronium molecule is a four body system consisting of two positrons and two electrons in an overall singlet spin state. The recent calculations of its binding energy against the dissociation into two positronium atoms, and studies of auto-detaching states in positronium molecules are discussed. These auto-dissociating states, which are believed to be part of the Rydberg series as a result of a positron attaching to a negatively charged positronium ion, Ps-, would appear as resonances in Ps-Ps scattering.

  3. Single-Molecule Bioelectronics

    PubMed Central

    Rosenstein, Jacob K.; Lemay, Serge G.; Shepard, Kenneth L.

    2014-01-01

    Experimental techniques which interface single biomolecules directly with microelectronic systems are increasingly being used in a wide range of powerful applications, from fundamental studies of biomolecules to ultra-sensitive assays. Here we review several technologies which can perform electronic measurements of single molecules in solution: ion channels, nanopore sensors, carbon nanotube field-effect transistors, electron tunneling gaps, and redox cycling. We discuss the shared features among these techniques that enable them to resolve individual molecules, and discuss their limitations. Recordings from each of these methods all rely on similar electronic instrumentation, and we discuss the relevant circuit implementations and potential for scaling these single-molecule bioelectronic interfaces to high-throughput arrayed sensing platforms. PMID:25529538

  4. Polarization of deuterium molecules

    SciTech Connect

    J. F. J. van den Brand; H. J. Bulten; M. Ferro-Luzzi; Z.-L. Zhou; Ricardo Alarcon; T. Botto; M. Bouwhuis; Rolf Ent; Peter Heimberg; Douglas W. Higinbotham; Kees de Jager; J. Lang; D. J. de Lange; I. Passchier; H. R. Poolman; J. J. M. Steijger; O. Unal; H. de Vries

    1997-08-01

    For molecular systems, spin relaxation is expected to be suppressed compared to the case of atoms, since the paired electrons in a hydrogen or deuterium molecule are chemically stable, and only weakly interact with the spin of the nucleus. Such systems would be largely insensitive to polarization losses due to spin-exchange collisions, to the interaction of the electron spins with external fields (e.g. the RF-field of a bunched charged-particle beam), and/or to the presence of container walls. Here, we discuss the results of a recent experiment where we obtained evidence that nuclear polarization is maintained, when polarized atoms recombine to molecules on a copper surface (in a magnetic field of 23 mT and at a density of about 10{sup 12} molecules {center_dot} cm{sup -3}).

  5. Single molecule fluorescence and force microscopy.

    PubMed

    Schütz, G J; Hinterdorfer, P

    2002-12-01

    The investigation of biomolecules has entered a new age since the development of methodologies capable of studies at the level of single molecules. In biology, most molecules show a complex dynamical behavior, with individual motions and transitions between different states occurring highly correlated in space and time within an arrangement of various elements. Recent advances in the development of new microscopy techniques with sensitivity at the single molecule have gained access to essentially new types of information obtainable from imaging biomolecular samples. These methodologies are described here in terms of their applicability to the in vivo detection and visualization of molecular processes on surfaces, membranes, and cells. First examples of single molecule microscopy on cell membranes revealed new basic insight into the lateral organization of the plasma membrane, providing the captivating perspective of an ultra-sensitive methodology as a general tool to study local processes and heterogeneities in living cells.

  6. Life at the Single Molecule Level

    SciTech Connect

    Xie, Xiaoliang Sunny

    2011-03-04

    In a living cell, gene expression—the transcription of DNA to messenger RNA followed by translation to protein—occurs stochastically, as a consequence of the low copy number of DNA and mRNA molecules involved. Can one monitor these processes in a living cell in real time? How do cells with identical genes exhibit different phenotypes? Recent advances in single-molecule imaging in living bacterial cells allow these questions to be answered at the molecular level in a quantitative manner. It was found that rare events of single molecules can have important biological consequences.

  7. Single molecule diffraction.

    PubMed

    Spence, J C H; Doak, R B

    2004-05-14

    For solving the atomic structure of organic molecules such as small proteins which are difficult to crystallize, the use of a jet of doped liquid helium droplets traversing a continuous high energy electron beam is proposed as a means of obtaining electron diffraction patterns (serial crystallography). Organic molecules (such as small proteins) within the droplet (and within a vitreous ice jacket) may be aligned by use of a polarized laser beam. Iterative methods for solving the phase problem are indicated. Comparisons with a related plan for pulsed x-ray diffraction from single proteins in a molecular beam are provided.

  8. Enzyme molecules as nanomotors.

    PubMed

    Sengupta, Samudra; Dey, Krishna K; Muddana, Hari S; Tabouillot, Tristan; Ibele, Michael E; Butler, Peter J; Sen, Ayusman

    2013-01-30

    Using fluorescence correlation spectroscopy, we show that the diffusive movements of catalase enzyme molecules increase in the presence of the substrate, hydrogen peroxide, in a concentration-dependent manner. Employing a microfluidic device to generate a substrate concentration gradient, we show that both catalase and urease enzyme molecules spread toward areas of higher substrate concentration, a form of chemotaxis at the molecular scale. Using glucose oxidase and glucose to generate a hydrogen peroxide gradient, we induce the migration of catalase toward glucose oxidase, thereby showing that chemically interconnected enzymes can be drawn together.

  9. Concentrating molecules in a simple microchannel.

    PubMed

    Jiang, Hai; Daghighi, Yasaman; Chon, Chan Hee; Li, Dongqing

    2010-07-15

    A simple method is proposed and tested to concentrate sample molecules from a dilute solution in a microchannel by electrokinetic means. The microfluidic chip has a straight microchannel connecting two wells and three electrodes. This method uses electrokinetic trapping and flow control simultaneously to concentrate a charged species of interest. A numerical model of the sample concentration process is presented in this paper. Using a fluorescent dye as the sample molecules, experimental investigation into the concentration process was performed. The 90 times of the concentration increase was achieved in 110 s. The numerical simulations of the concentrating and the subsequent dispensing processes agree well with the experimental results.

  10. Quantitative Aspects of Single Molecule Microscopy

    PubMed Central

    Ober, Raimund J.; Tahmasbi, Amir; Ram, Sripad; Lin, Zhiping; Ward, E. Sally

    2015-01-01

    Single molecule microscopy is a relatively new optical microscopy technique that allows the detection of individual molecules such as proteins in a cellular context. This technique has generated significant interest among biologists, biophysicists and biochemists, as it holds the promise to provide novel insights into subcellular processes and structures that otherwise cannot be gained through traditional experimental approaches. Single molecule experiments place stringent demands on experimental and algorithmic tools due to the low signal levels and the presence of significant extraneous noise sources. Consequently, this has necessitated the use of advanced statistical signal and image processing techniques for the design and analysis of single molecule experiments. In this tutorial paper, we provide an overview of single molecule microscopy from early works to current applications and challenges. Specific emphasis will be on the quantitative aspects of this imaging modality, in particular single molecule localization and resolvability, which will be discussed from an information theoretic perspective. We review the stochastic framework for image formation, different types of estimation techniques and expressions for the Fisher information matrix. We also discuss several open problems in the field that demand highly non-trivial signal processing algorithms. PMID:26167102

  11. Cermet composite thermal spray coatings for erosion and corrosion protection in combustion environments of advanced coal-fired boilers. Semiannual technical progress report, August 14, 1996--January 14, 1997

    SciTech Connect

    Levin, B.F.; DuPont, J.N.; Marder, A.R.

    1997-02-01

    Research is presently being conducted to determine the optimum ceramic/metal combination in thermally sprayed metal matrix composite coatings for erosion and corrosion resistance in new coal-fired boilers. The research will be accomplished by producing model cermet composites using powder metallurgy and electrodeposition methods in which the effect of ceramic/metal combination for the erosion and corrosion resistance will be determined. These results will provide the basis for determining the optimum hard phase constituent size and volume percent in thermal spray coatings. Thermal spray coatings will be applied by our industrial sponsor and tested in our erosion and corrosion laboratories. In the first six months of this project, bulk powder processed Ni-Al{sub 2}O{sub 3} composites were produced at Idaho National Engineering Laboratory. The results of microstructural characterization of these alloys were presented in the first semiannual report. The composite samples contained 0, 21, 27, 37, and 45 volume percent Al{sub 2}O{sub 3} with an average particle size of 12 um. An increase in the volume fraction of alumina in the nickel matrix from 0 to 45% led to a significant increase in hardness of these composites.

  12. Sweeping molecules with light

    NASA Astrophysics Data System (ADS)

    Hutzler, Nicholas R.

    2017-03-01

    Many areas of physics—precision measurements, quantum information, and physical chemistry, to name a few—are starting to benefit from the enormous advantages offered by cold and ultracold polar molecules. Molecules have more states, more interactions, and more chemical properties compared to atoms, which make them exciting to study but difficult to tame. In particular, the powerful techniques of atomic laser cooling cannot be naïvely applied to molecules due to their complicated structure. Developments over the past few years have made directly laser cooled and trapped molecules a reality, and now much effort is focused on making these samples larger, denser, and colder—an important step to realizing many of their exciting applications. A careful experimental and numerical study by Truppe et al (2017 New J. Phys. 19 022001) demonstrates a significant improvement and advance in understanding of one of the most limiting steps in laser cooling and trapping of molecules—slowing them from a molecular beam to a near-standstill, with small enough kinetic energy that they can be loaded into a trap.

  13. Disentangling DNA molecules.

    PubMed

    Vologodskii, Alexander

    2016-09-01

    The widespread circular form of DNA molecules inside cells creates very serious topological problems during replication. Due to the helical structure of the double helix the parental strands of circular DNA form a link of very high order, and yet they have to be unlinked before the cell division. DNA topoisomerases, the enzymes that catalyze passing of one DNA segment through another, solve this problem in principle. However, it is very difficult to remove all entanglements between the replicated DNA molecules due to huge length of DNA comparing to the cell size. One strategy that nature uses to overcome this problem is to create the topoisomerases that can dramatically reduce the fraction of linked circular DNA molecules relative to the corresponding fraction at thermodynamic equilibrium. This striking property of the enzymes means that the enzymes that interact with DNA only locally can access their topology, a global property of circular DNA molecules. This review considers the experimental studies of the phenomenon and analyzes the theoretical models that have been suggested in attempts to explain it. We describe here how various models of enzyme action can be investigated computationally. There is no doubt at the moment that we understand basic principles governing enzyme action. Still, there are essential quantitative discrepancies between the experimental data and the theoretical predictions. We consider how these discrepancies can be overcome.

  14. Mighty Molecule Models

    ERIC Educational Resources Information Center

    Brown, Tom; Rushton, Greg; Bencomo, Marie

    2008-01-01

    As part of the SMATHematics Project: The Wonder of Science, The Power of Mathematics--a collaborative partnership between Kennesaw State University and two local school districts, fifth graders had the opportunity to puzzle out chemical formulas of propane, methanol, and other important molecules. In addition, they explored properties that…

  15. Algebraic theory of molecules

    NASA Technical Reports Server (NTRS)

    Iachello, Franco

    1995-01-01

    An algebraic formulation of quantum mechanics is presented. In this formulation, operators of interest are expanded onto elements of an algebra, G. For bound state problems in nu dimensions the algebra G is taken to be U(nu + 1). Applications to the structure of molecules are presented.

  16. Single molecules: Thermodynamic limits

    NASA Astrophysics Data System (ADS)

    Liphardt, Jan

    2012-09-01

    Technologies aimed at single-molecule resolution of non-equilibrium systems increasingly require sophisticated new ways of thinking about thermodynamics. An elegant extension to standard fluctuation theory grants access to the kinetic intermediate states of these systems -- as DNA-pulling experiments now demonstrate.

  17. Disentangling DNA molecules

    NASA Astrophysics Data System (ADS)

    Vologodskii, Alexander

    2016-09-01

    The widespread circular form of DNA molecules inside cells creates very serious topological problems during replication. Due to the helical structure of the double helix the parental strands of circular DNA form a link of very high order, and yet they have to be unlinked before the cell division. DNA topoisomerases, the enzymes that catalyze passing of one DNA segment through another, solve this problem in principle. However, it is very difficult to remove all entanglements between the replicated DNA molecules due to huge length of DNA comparing to the cell size. One strategy that nature uses to overcome this problem is to create the topoisomerases that can dramatically reduce the fraction of linked circular DNA molecules relative to the corresponding fraction at thermodynamic equilibrium. This striking property of the enzymes means that the enzymes that interact with DNA only locally can access their topology, a global property of circular DNA molecules. This review considers the experimental studies of the phenomenon and analyzes the theoretical models that have been suggested in attempts to explain it. We describe here how various models of enzyme action can be investigated computationally. There is no doubt at the moment that we understand basic principles governing enzyme action. Still, there are essential quantitative discrepancies between the experimental data and the theoretical predictions. We consider how these discrepancies can be overcome.

  18. Three new 'nonterrestrial' molecules

    NASA Astrophysics Data System (ADS)

    Thaddeus, P.; Guelin, M.; Linke, R. A.

    1981-05-01

    Eight new interstellar lines have been detected from three molecules not previously observed spectroscopically in space or in the laboratory. One is a linear or nearly linear molecule with microwave constants B0 equals 21,337.15 plus or minus 0.06 MHz, D0 equals 21.4 plus or minus 1.5 kHz. This is the thioformyl ion HCS(plus), first identified because B0 and D0 are close to those calculated, and now confirmed by laboratory detection of one of the present lines (Gudeman et al.). The second molecule, also linear or nearly so, has microwave constants B0 equals 10,691,406 plus or minus 0.043 MHz, D0 equals 1.84 plus or minus 0.91 kHz close to those expected for the isoelectronic systems HOCO(plus) and HOCN; a choice between the two cannot be made on the basis of the available astronomical data. The existence of a third molecule is deduced from an unidentified line at 85,338 MHz that has been found in many sources, is fairly intense in several, and may be self-absorbed in Sgr B2.

  19. Ultraviolet Pretreatment of Titanium Dioxide and Tin-Doped Indium Oxide Surfaces as a Promoter of the Adsorption of Organic Molecules in Dry Deposition Processes: Light Patterning of Organic Nanowires.

    PubMed

    Oulad-Zian, Youssef; Sanchez-Valencia, Juan R; Parra-Barranco, Julian; Hamad, Said; Espinos, Juan P; Barranco, Angel; Ferrer, Javier; Coll, Mariona; Borras, Ana

    2015-08-04

    In this article we present the preactivation of TiO2 and ITO by UV irradiation under ambient conditions as a tool to enhance the incorporation of organic molecules on these oxides by evaporation at low pressures. The deposition of π-stacked molecules on TiO2 and ITO at controlled substrate temperature and in the presence of Ar is thoroughly followed by SEM, UV-vis, XRD, RBS, and photoluminescence spectroscopy, and the effect is exploited for the patterning formation of small-molecule organic nanowires (ONWs). X-ray photoelectron spectroscopy (XPS) in situ experiments and molecular dynamics simulations add critical information to fully elucidate the mechanism behind the increase in the number of adsorption centers for the organic molecules. Finally, the formation of hybrid organic/inorganic semiconductors is also explored as a result of the controlled vacuum sublimation of organic molecules on the open thin film microstructure of mesoporous TiO2.

  20. OMG: Open Molecule Generator.

    PubMed

    Peironcely, Julio E; Rojas-Chertó, Miguel; Fichera, Davide; Reijmers, Theo; Coulier, Leon; Faulon, Jean-Loup; Hankemeier, Thomas

    2012-09-17

    Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck.

  1. Semiannual and solar activity variations of daytime plasma observed by DEMETER in the ionosphere-plasmasphere transition region

    NASA Astrophysics Data System (ADS)

    Li, L. Y.; Cao, J. B.; Yang, J. Y.; Berthelier, J. J.; Lebreton, J.-P.

    2015-12-01

    Using the plasma data of Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions (DEMETER) satellite and the NRLMSISE-00 atmospheric model, we examined the semiannual and solar activity variations of the daytime plasma and neutral composition densities in the ionosphere-plasmasphere transition region (~670-710 km). The results demonstrate that the semiannually latitudinal variation of the daytime oxygen ions (O+) is basically controlled by that of neutral atomic oxygen (O), whereas the latitude distributions of the helium and hydrogen ions (He+ and H+) do not fully depend on the neutral atomic helium (He) and hydrogen (H). The summer enhancement of the heavy oxygen ions is consistent with the neutral O enhancement in the summer hemisphere, and the oxygen ion density has significantly the summer-dense and winter-tenuous hemispheric asymmetry with respect to the dip equator. Although the winter enhancements of the lighter He+ and H+ ions are also associated with the neutral He and H enhancements in the winter hemisphere, the high-density light ions (He+ and H+) and electrons (e-) mainly appear at the low and middle magnetic latitudes (|λ| < 50°). The equatorial accumulations of the light plasma species indicate that the light charged particles (He+, H+, and e-) are easily transported by some equatorward forces (e.g., the magnetic mirror force and centrifugal force). The frequent Coulomb collisions between the charged particles probably lead to the particle trappings at different latitudes. Moreover, the neutral composition densities also influence their ion concentrations during different solar activities. From the low-F10.7 year (2007-2008) to the high-F10.7 year (2004-2005), the daytime oxygen ions and electrons increase with the increasing neutral atomic oxygen, whereas the daytime hydrogen ions tend to decrease with the decreasing neutral atomic hydrogen. The helium ion density has no obvious solar activity variation, suggesting that the

  2. Age-related increase of reactive oxygen generation in the brains of mammals and birds: is reactive oxygen a signaling molecule to determine the aging process and life span?

    PubMed

    Sasaki, Toru; Unno, Keiko; Tahara, Shoichi; Kaneko, Takao

    2010-07-01

    Since Harman proposed the "free-radical theory of aging", oxidative stress has been postulated to be a major causal factor of senescence. The accumulation of oxidative stress-induced oxidatively modified macromolecules, including protein, DNA and lipid, were found in tissues during the aging process; however, it is not necessarily clear which factor is more critical, an increase in endogenous reactive oxygen and/or a decrease in anti-oxidative defense, to the age-related increase in oxidative damage. To clarify the increasing production of reactive oxygen with age, we examined reactive oxygen-dependent chemiluminescent (CL) signals in ex vivo brain slices prepared from different-aged animal brains during hypoxia-reoxygenation treatment using a novel photonic imaging method. The CL signal was intensified during reoxygenation. The signals in SAMP10 (short-life strain) and SAMR1 (control) brain slices increased with aging. The slope of the increase of CL intensity with age in P10 was steeper than in R1. Age-dependent increase of CL intensity was also observed in C57BL/6 mice, Wistar rats and pigeons; however, superoxide dismutase (SOD) activity in the brain did not change with age. These results suggest that reactive oxygen production itself increased with aging. The rate of age-related increases of CL intensity was inversely related to the maximum lifespan of animals. We speculate that reactive oxygen might be a signaling molecule and its levels in tissue might determine the aging process and lifespan. Decelerating age-related increases of reactive oxygen production are expected to be a potent strategy for anti-aging interventions.

  3. A Sulfide Capacity Prediction Model of CaO-SiO2-MgO-FeO-MnO-Al2O3 Slags during the LF Refining Process Based on the Ion and Molecule Coexistence Theory

    NASA Astrophysics Data System (ADS)

    Yang, Xue-Min; Zhang, Meng; Shi, Cheng-Bin; Chai, Guo-Ming; Zhang, Jian

    2012-04-01

    A sulfide capacity prediction model of CaO-SiO2-MgO-FeO-MnO-Al2O3 ladle furnace (LF) refining slags has been developed based on the ion and molecule coexistence theory (IMCT). The predicted sulfide capacity of the LF refining slags has better accuracy than the measured sulfide capacity of the slags at the middle and final stages during the LF refining process. Increasing slag binary basicity, optical basicity, and the Mannesmann index can lead to an increase of the predicted sulfide capacity for the LF refining slags as well as to an increase of the sulfur distribution ratio between the slags and molten steel at the middle and final stages during the LF refining process. The calculated equilibrium mole numbers, mass action concentrations of structural units or ion couples, rather than mass percentages of components, are recommended to represent the slag composition for correlating with the sulfide capacity of the slags. The developed sulfide capacity IMCT model can calculate not only the total sulfide capacity of the slags but also the respective sulfide capacity of free CaO, MgO, FeO, and MnO in the slags. The comprehensive contribution of the combined ion couples (Ca2+ + O2-) and (Mn2+ + O2-) on the desulfurization reactions accounts for 96.23 pct; meanwhile, the average contribution of the ion couple (Fe2+ + O2-) and (Mg2+ + O2-) only has a negligible contribution as 3.13 pct and 0.25 pct during the LF refining process, respectively. The oxygen activity of bulk molten steel in LF is controlled by the [Al]-[O] equilibrium, and the oxygen activity of molten steel at the slag-metal interface is controlled by the (FeO)-[O] equilibrium. The ratio of the oxygen activity of molten steel at the slag-metal interface to the oxygen activity of bulk molten steel will decrease from 37 to 5 at the initial stage, and further decrease from 28 to 4 at the middle stage, but will maintain at a reliable constant as 5 to 14 at the final stage during the LF refining process. The

  4. Dual cure low-VOC coating process. Phase 3, Semi-annual report, April 1, 1992--September 30, 1992

    SciTech Connect

    Kinzer, K.E.

    1993-10-01

    The objective of Phase 3 of 3M`s contract with the US Department of Energy is to complete proof-of-principle testing in full-scale systems of the dual cure photocatalyst technology developed in earlier Phases of the program. The Phase 3 commercial applications to be demonstrated are aerospace topcoats, aerospace primers, and solventless manufacture of tape backings. This report details activities of Phase 3 during this reporting period. In the second six months of Phase 3, work has continued in all three applications. Significant progress has been made in improving the performance of the urethane/acrylate formulation being used for the aerospace topcoat application. Key improvements have been made in obtaining increased reverse impact, initial gloss and gloss retention during accelerated weathering. Technical challenges have continued with the aerospace primer formulation. Efforts in this six months have continued to focus on establishing a good baseline epoxy/acrylate formulation with reliable cure conditions. Work on the third demonstration application, development of solventless backing saturants for electrical tape backings, has essentially been completed. Optimal dual cure resin formulations have been identified and utilized in preparing complete tape constructions. These tapes have been evaluated and characterized in terms of benchmark UL and internal 3M specifications for electrical tape performance.

  5. Dual cure low-VOC coating process: Phase 3. Semi-annual technical progress report, October 1992--March 31, 1993

    SciTech Connect

    Kinzer, K.E.

    1993-11-01

    Objective of Phase 3 is to complete proof-of-principle testing in full-scale systems of the dual cure photocatalyst technology developed in earlier phases. Phase 3 commercial applications are aerospace topcoats, aerospace primers, and solventless manufacture of tape backings. Progress was made in improving urethane/acrylate formulation for aerospace topcoats, particularly in reverse impact, initial gloss, and loss retention during accelerated weathering. Formulations have now been developed which meet all initial criteria; the formulation was optimized. Aerospace primer formulations based on epoxy/flexibilizer systems were evaluated. Because of cure consistency problems and the increased need for non-chromated primers, work on aerospace primer system was de-emphasized to allow greater effort on development and commercialization of aerospace topcoat. Work on solventless backing saturants for electrical tape backings has been completed; optimal dual cure resin formulations have been used in preparing complete tape constructions.

  6. Design, synthesis, and characterization of ladder-type molecules and polymers. Air-stable, solution-processable n-channel and ambipolar semiconductors for thin-film transistors via experiment and theory.

    PubMed

    Usta, Hakan; Risko, Chad; Wang, Zhiming; Huang, Hui; Deliomeroglu, Murat K; Zhukhovitskiy, Aleksandr; Facchetti, Antonio; Marks, Tobin J

    2009-04-22

    The design, synthesis, and characterization of new high-performance n-channel molecular/polymeric semiconductors that are solution-processable and air-stable is of great interest for the development of p-n junctions, bipolar transistors, and organic complementary circuitry (CMOS). While over the past two decades there have been many reports on n-channel materials, solution-processability and air-stability still remain as major challenges. We report here the synthesis and detailed characterization of a highly electron-deficient class of indeno[1,2-b]fluorene-6,12-dione, 2,2'-(indeno[1,2-b]fluorene-6,12-diylidene) dimalononitrile, bisindenofluorene-12,15-dione, and 2,2'-(bisindenofluorene-12,15-diylidene) dimalononitrile-based ladder-type building blocks (1-12) and their corresponding homo- and copolymers (P1-P14), and examine in detail the effects of core size, thiophene vs core regiochemistry, carbonyl vs dicyanovinylene functionality, and alkyl chain orientation on the physicochemical properties, thin film microstructures, and OFET device performance. New compounds are characterized by DSC, TGA, melting point, single-crystal X-ray diffraction (XRD), solution/thin film optical, PL, and cyclic voltammetry measurements to evaluate frontier molecular orbital energetics and intermolecular cohesive forces. Thin films are grown by vacuum deposition and spin-coating, and investigated by X-ray diffraction (XRD) and AFM. By tuning the HOMO/LUMO energetics of the present materials over a 1.1 eV range, p-type, n-type, or ambipolar charge transport characteristics can be observed, thus identifying the MO energetic windows governing majority carrier polarity and air stability. One of these systems, thiophene-terminated indenofluorenedicyanovinylene 10 exhibits an electron mobility of 0.16 cm(2)/V x s and an I(on)/I(off) ratio of 10(7)-10(8), one of the highest to date for a solution-cast air-stable n-channel semiconductor. Here we also report solution-processed ambipolar films

  7. Molecules in Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Berdyugina, Svetlana

    2015-08-01

    Molecules probe cool matter in the Universe and various astrophysical objects. Their ability to sense magnetic fields provides new insights into magnetic properties of these objects. During the past fifteen years we have carried out a theoretical study of molecular magnetic effects such as the Zeeman, Paschen-Back and Hanle effects and their applications for inferring magnetic structures and spatial inhomogeneities on the Sun, cool stars, brown dwarfs, and exoplanets from molecular spectro-polarimetry (e.g., Berdyugina 2011). Here, we present an overview of this study and compare our theoretical predictions with recent laboratory measurements of magnetic properties of some molecules. We present also a new web-based tool to compute molecular magnetic effects and polarized spectra which is supported by the ERC Advanced Grant HotMol.

  8. Strange skyrmion molecules

    NASA Astrophysics Data System (ADS)

    Kopeliovich, Vladimir B.; Stern, Boris E.

    1997-05-01

    Composed skyrmions with B=2, strangeness content close to 0.5 and the binding energy of several tens of Mev are described. These skyrmions are obtained starting from the system of two B=1 hedgehogs located in different SU(2) subgroups of SU(3) and have the mass and baryon number distribution of molecular (dipole) type. The quantization of zero modes of skyrmion molecules and physics consequences of their existence are discussed.

  9. Strange skyrmion molecules

    SciTech Connect

    Kopeliovich, Vladimir B.; Stern, Boris E.

    1997-05-20

    Composed skyrmions with B=2, strangeness content close to 0.5 and the binding energy of several tens of Mev are described. These skyrmions are obtained starting from the system of two B=1 hedgehogs located in different SU(2) subgroups of SU(3) and have the mass and baryon number distribution of molecular (dipole) type. The quantization of zero modes of skyrmion molecules and physics consequences of their existence are discussed.

  10. Single Molecule Mechanochemistry

    NASA Astrophysics Data System (ADS)

    Li, Shaowei; Zhang, Yanxing; Ho, Wilson; Wu, Ruqian; Ruqian Wu, Yanxing Zhang Team; Wilson Ho, Shaowei Li Team

    Mechanical forces can be used to trigger chemical reactions through bending and stretching of chemical bonds. Using the reciprocating movement of the tip of a scanning tunneling microscope (STM), mechanical energy can be provided to a single molecule sandwiched between the tip and substrate. When the mechanical pulse center was moved to the outer ring feature of a CO molecule, the reaction rate was significantly increased compared with bare Cu surface and over Au atoms. First, DFT calculations show that the presence of CO makes the Cu cavity more attractive toward H2 Second, H2 prefers the horizontal adsorption geometry in the Cu-Cu and Au-Cu cavities and no hybridization occurs between the antibonding states of H2 and states of Cu atoms. While H2 loses electrons from its bonding state in all three cavities, the filling of its anti-bonding state only occurs in the CO-Cu cavity. Both make the CO-Cu cavity much more effectively to chop the H2 molecule. Work was supported by the National Science Foundation Center for Chemical Innovation on Chemistry at the Space-Time Limit (CaSTL) under Grant No. CHE-1414466.

  11. Photonic Molecule Lasers Revisited

    NASA Astrophysics Data System (ADS)

    Gagnon, Denis; Dumont, Joey; Déziel, Jean-Luc; Dubé, Louis J.

    2014-05-01

    Photonic molecules (PMs) formed by coupling two or more optical resonators are ideal candidates for the fabrication of integrated microlasers, photonic molecule lasers. Whereas most calculations on PM lasers have been based on cold-cavity (passive) modes, i.e. quasi-bound states, a recently formulated steady-state ab initio laser theory (SALT) offers the possibility to take into account the spectral properties of the underlying gain transition, its position and linewidth, as well as incorporating an arbitrary pump profile. We will combine two theoretical approaches to characterize the lasing properties of PM lasers: for two-dimensional systems, the generalized Lorenz-Mie theory will obtain the resonant modes of the coupled molecules in an active medium described by SALT. Not only is then the theoretical description more complete, the use of an active medium provides additional parameters to control, engineer and harness the lasing properties of PM lasers for ultra-low threshold and directional single-mode emission. We will extend our recent study and present new results for a number of promising geometries. The authors acknowledge financial support from NSERC (Canada) and the CERC in Photonic Innovations of Y. Messaddeq.

  12. Development of mid-infrared solid state lasers for spaceborne lidar. Semiannual progesss report, 13 April-13 October 1988

    SciTech Connect

    Whitney, D.A.; Kim, K.H.

    1988-01-01

    This semiannual progress report covers work performed during the period from April 13, 1988 to October 13, 1988 under NASA grant number NAG-1-877 entitled, Development of mid-infrared solid state lasers for spaceborne lidar. We have designed a flashlamp-pumped Cr3(+);GSAG laser of pulsed laser energy greater than 200 mJ and of pulse width of 1 ms FWHM to simulate a high-power laser diode in pumping mid-infrared laser crystals such as Tm3(+), Er3(+), and/or Ho3(+)-ion doped YAG, YLF or other host materials. This Cr3(+);GSAG laser will be used to determine optimum conditions for laser diode pumped mid-infrared lasers, maximum energy extraction limit with longitudinal pumping, thermal damage limit, and other problems related to high power laser diode pumping. We have completed a modification of an existing flashlamp-pumped and liquid nitrogen cooled rare earth laser system for 60 J electrical input energy and a 500 micron pulse width, and have carried out preliminary experiments with a Ho(+):Er3(+):Tm3(+):YAG crystal to test the system performance. This flashlamp-pumped rare earth laser system will be used to determine optimum Tm3(+)-ion concentration in Ho3(+):Cr3(+):Tm3(+):YAG crystal in the remaining research period.

  13. Spring-fall asymmetry of substorm strength, geomagnetic activity and solar wind: Implications for semiannual variation and solar hemispheric asymmetry

    USGS Publications Warehouse

    Mursula, K.; Tanskanen, E.; Love, J.J.

    2011-01-01

    We study the seasonal variation of substorms, geomagnetic activity and their solar wind drivers in 1993-2008. The number of substorms and substorm mean duration depict an annual variation with maxima in Winter and Summer, respectively, reflecting the annual change of the local ionosphere. In contradiction, substorm mean amplitude, substorm total efficiency and global geomagnetic activity show a dominant annual variation, with equinoctial maxima alternating between Spring in solar cycle 22 and Fall in cycle 23. The largest annual variations were found in 1994 and 2003, in the declining phase of the two cycles when high-speed streams dominate the solar wind. A similar, large annual variation is found in the solar wind driver of substorms and geomagnetic activity, which implies that the annual variation of substorm strength, substorm efficiency and geomagnetic activity is not due to ionospheric conditions but to a hemispherically asymmetric distribution of solar wind which varies from one cycle to another. Our results imply that the overall semiannual variation in global geomagnetic activity has been seriously overestimated, and is largely an artifact of the dominant annual variation with maxima alternating between Spring and Fall. The results also suggest an intimate connection between the asymmetry of solar magnetic fields and some of the largest geomagnetic disturbances, offering interesting new pathways for forecasting disturbances with a longer lead time to the future. Copyright ?? 2011 by the American Geophysical Union.

  14. Spring-fall asymmetry of substorm strength, geomagnetic activity and solar wind: Implications for semiannual variation and solar hemispheric asymmetry

    USGS Publications Warehouse

    Marsula, K.; Tanskanen, E.; Love, J.J.

    2011-01-01

    We study the seasonal variation of substorms, geomagnetic activity and their solar wind drivers in 1993–2008. The number of substorms and substorm mean duration depict an annual variation with maxima in Winter and Summer, respectively, reflecting the annual change of the local ionosphere. In contradiction, substorm mean amplitude, substorm total efficiency and global geomagnetic activity show a dominant annual variation, with equinoctial maxima alternating between Spring in solar cycle 22 and Fall in cycle 23. The largest annual variations were found in 1994 and 2003, in the declining phase of the two cycles when high-speed streams dominate the solar wind. A similar, large annual variation is found in the solar wind driver of substorms and geomagnetic activity, which implies that the annual variation of substorm strength, substorm efficiency and geomagnetic activity is not due to ionospheric conditions but to a hemispherically asymmetric distribution of solar wind which varies from one cycle to another. Our results imply that the overall semiannual variation in global geomagnetic activity has been seriously overestimated, and is largely an artifact of the dominant annual variation with maxima alternating between Spring and Fall. The results also suggest an intimate connection between the asymmetry of solar magnetic fields and some of the largest geomagnetic disturbances, offering interesting new pathways for forecasting disturbances with a longer lead time to the future.

  15. Long-range effects in electron scattering by polar molecules

    NASA Astrophysics Data System (ADS)

    Fabrikant, Ilya I.

    2016-11-01

    We review long-range effects in electron collisions with polar molecules, starting with elastic scattering. We then go to rotationally and vibrationally inelastic processes and dissociative electron attachment. The last two are strongly affected by vibrational Feshbach resonances which have been observed and described theoretically in many systems from simple diatomic molecules to more complex polyatomics, biologically relevant molecules, and van der Waals clusters. We then review environmental effects which include electron interaction with molecules adsorbed on surfaces and molecules in cluster environments. We concentrate on physics rather than on listing results of ab initio calculations. With increasing complexity of targets and processes model approaches become more relevant. We demonstrate their success in the theoretical description of electron attachment to polyatomic molecules and to molecules in complex environments.

  16. Single Molecule Analysis Research Tool (SMART): An Integrated Approach for Analyzing Single Molecule Data

    PubMed Central

    Mabuchi, Hideo; Herschlag, Daniel

    2012-01-01

    Single molecule studies have expanded rapidly over the past decade and have the ability to provide an unprecedented level of understanding of biological systems. A common challenge upon introduction of novel, data-rich approaches is the management, processing, and analysis of the complex data sets that are generated. We provide a standardized approach for analyzing these data in the freely available software package SMART: Single Molecule Analysis Research Tool. SMART provides a format for organizing and easily accessing single molecule data, a general hidden Markov modeling algorithm for fitting an array of possible models specified by the user, a standardized data structure and graphical user interfaces to streamline the analysis and visualization of data. This approach guides experimental design, facilitating acquisition of the maximal information from single molecule experiments. SMART also provides a standardized format to allow dissemination of single molecule data and transparency in the analysis of reported data. PMID:22363412

  17. Microfluidics for biological measurements with single-molecule resolution.

    PubMed

    Streets, Aaron M; Huang, Yanyi

    2014-02-01

    Single-molecule approaches in biology have been critical in studies ranging from the examination of physical properties of biological macromolecules to the extraction of genetic information from DNA. The variation intrinsic to many biological processes necessitates measurements with single-molecule resolution in order to accurately recapitulate population distributions. Microfluidic technology has proven to be useful in the facilitation and even enhancement of single-molecule studies because of the precise liquid handling, small volume manipulation, and high throughput capabilities of microfluidic devices. In this review we survey the microfluidic "toolbox" available to the single-molecule specialist and summarize some recent biological applications of single-molecule detection on chip.

  18. Watching single molecules dance

    NASA Astrophysics Data System (ADS)

    Mehta, Amit Dinesh

    Molecular motors convert chemical energy, from ATP hydrolysis or ion flow, into mechanical motion. A variety of increasingly precise mechanical probes have been developed to monitor and perturb these motors at the single molecule level. Several outstanding questions can be best approached at the single molecule level. These include: how far does a motor progress per energy quanta consumed? how does its reaction cycle respond to load? how many productive catalytic cycles can it undergo per diffusional encounter with its track? and what is the mechanical stiffness of a single molecule connection? A dual beam optical trap, in conjunction with in vitro ensemble motility assays, has been used to characterize two members of the myosin superfamily: muscle myosin II and chick brain myosin V. Both move the helical polymer actin, but myosin II acts in large ensembles to drive muscle contraction or cytokinesis, while myosin V acts in small numbers to transport vesicles. An optical trapping apparatus was rendered sufficiently precise to identify a myosin working stroke with 1nm or so, barring systematic errors such as those perhaps due to random protein orientations. This and other light microscopic motility assays were used to characterize myosin V: unlike myosin II this vesicle transport protein moves through many increments of travel while remaining strongly bound to a single actin filament. The step size, stall force, and travel distance of myosin V reveal a remarkably efficient motor capable of moving along a helical track for over a micrometer without significantly spiraling around it. Such properties are fully consistent with the putative role of an organelle transport motor, present in small numbers to maintain movement over long ranges relative to cellular size scales. The contrast between myosin II and myosin V resembles that between a human running on the moon and one walking on earth, where the former allows for faster motion when in larger ensembles but for less

  19. Molecules in crystals

    NASA Astrophysics Data System (ADS)

    Spackman, Mark A.

    2013-04-01

    Hirshfeld surface analysis has developed from the serendipitous discovery of a novel partitioning of the crystal electron density into discrete molecular fragments, to a suite of computational tools used widely for the identification, analysis and discussion of intermolecular interactions in molecular crystals. The relationship between the Hirshfeld surface and very early ideas on the internal structure of crystals is outlined, and applications of Hirshfeld surface analysis are presented for three molecules of historical importance in the development of modern x-ray crystallography: hexamethylbenzene, hexamethylenetetramine and diketopiperazine.

  20. Characterization of Interstellar Organic Molecules

    NASA Astrophysics Data System (ADS)

    Gençaǧa, Deniz; Carbon, Duane F.; Knuth, Kevin H.

    2008-11-01

    Understanding the origins of life has been one of the greatest dreams throughout history. It is now known that star-forming regions contain complex organic molecules, known as Polycyclic Aromatic Hydrocarbons (PAHs), each of which has particular infrared spectral characteristics. By understanding which PAH species are found in specific star-forming regions, we can better understand the biochemistry that takes place in interstellar clouds. Identifying and classifying PAHs is not an easy task: we can only observe a single superposition of PAH spectra at any given astrophysical site, with the PAH species perhaps numbering in the hundreds or even thousands. This is a challenging source separation problem since we have only one observation composed of numerous mixed sources. However, it is made easier with the help of a library of hundreds of PAH spectra. In order to separate PAH molecules from their mixture, we need to identify the specific species and their unique concentrations that would provide the given mixture. We develop a Bayesian approach for this problem where sources are separated from their mixture by Metropolis Hastings algorithm. Separated PAH concentrations are provided with their error bars, illustrating the uncertainties involved in the estimation process. The approach is demonstrated on synthetic spectral mixtures using spectral resolutions from the Infrared Space Observatory (ISO). Performance of the method is tested for different noise levels.

  1. Characterization of Interstellar Organic Molecules

    SciTech Connect

    Gencaga, Deniz; Knuth, Kevin H.; Carbon, Duane F.

    2008-11-06

    Understanding the origins of life has been one of the greatest dreams throughout history. It is now known that star-forming regions contain complex organic molecules, known as Polycyclic Aromatic Hydrocarbons (PAHs), each of which has particular infrared spectral characteristics. By understanding which PAH species are found in specific star-forming regions, we can better understand the biochemistry that takes place in interstellar clouds. Identifying and classifying PAHs is not an easy task: we can only observe a single superposition of PAH spectra at any given astrophysical site, with the PAH species perhaps numbering in the hundreds or even thousands. This is a challenging source separation problem since we have only one observation composed of numerous mixed sources. However, it is made easier with the help of a library of hundreds of PAH spectra. In order to separate PAH molecules from their mixture, we need to identify the specific species and their unique concentrations that would provide the given mixture. We develop a Bayesian approach for this problem where sources are separated from their mixture by Metropolis Hastings algorithm. Separated PAH concentrations are provided with their error bars, illustrating the uncertainties involved in the estimation process. The approach is demonstrated on synthetic spectral mixtures using spectral resolutions from the Infrared Space Observatory (ISO). Performance of the method is tested for different noise levels.

  2. Evidence of water molecules--a statistical evaluation of water molecules based on electron density.

    PubMed

    Nittinger, Eva; Schneider, Nadine; Lange, Gudrun; Rarey, Matthias

    2015-04-27

    Water molecules play important roles in many biological processes, especially when mediating protein-ligand interactions. Dehydration and the hydrophobic effect are of central importance for estimating binding affinities. Due to the specific geometric characteristics of hydrogen bond functions of water molecules, meaning two acceptor and two donor functions in a tetrahedral arrangement, they have to be modeled accurately. Despite many attempts in the past years, accurate prediction of water molecules-structurally as well as energetically-remains a grand challenge. One reason is certainly the lack of experimental data, since energetic contributions of water molecules can only be measured indirectly. However, on the structural side, the electron density clearly shows the positions of stable water molecules. This information has the potential to improve models on water structure and energy in proteins and protein interfaces. On the basis of a high-resolution subset of the Protein Data Bank, we have conducted an extensive statistical analysis of 2.3 million water molecules, discriminating those water molecules that are well resolved and those without much evidence of electron density. In order to perform this classification, we introduce a new measurement of electron density around an individual atom enabling the automatic quantification of experimental support. On the basis of this measurement, we present an analysis of water molecules with a detailed profile of geometric and structural features. This data, which is freely available, can be applied to not only modeling and validation of new water models in structural biology but also in molecular design.

  3. Sol-gel method for encapsulating molecules

    DOEpatents

    Brinker, C. Jeffrey; Ashley, Carol S.; Bhatia, Rimple; Singh, Anup K.

    2002-01-01

    A method for encapsulating organic molecules, and in particular, biomolecules using sol-gel chemistry. A silica sol is prepared from an aqueous alkali metal silicate solution, such as a mixture of silicon dioxide and sodium or potassium oxide in water. The pH is adjusted to a suitably low value to stabilize the sol by minimizing the rate of siloxane condensation, thereby allowing storage stability of the sol prior to gelation. The organic molecules, generally in solution, is then added with the organic molecules being encapsulated in the sol matrix. After aging, either a thin film can be prepared or a gel can be formed with the encapsulated molecules. Depending upon the acid used, pH, and other processing conditions, the gelation time can be from one minute up to several days. In the method of the present invention, no alcohols are generated as by-products during the sol-gel and encapsulation steps. The organic molecules can be added at any desired pH value, where the pH value is generally chosen to achieve the desired reactivity of the organic molecules. The method of the present invention thereby presents a sufficiently mild encapsulation method to retain a significant portion of the activity of the biomolecules, compared with the activity of the biomolecules in free solution.

  4. Vibrational Cooling of Photoassociated Homonuclear Cold Molecules

    NASA Astrophysics Data System (ADS)

    Passagem, Henry; Ventura, Paulo; Tallant, Jonathan; Marcassa, Luis

    2015-05-01

    In this work, we produce vibrationally cold homonuclear Rb molecules using spontaneous optical pumping. The vibrationally cooled molecules are produced in three steps. In the first step, we use a photoassociation laser to produce molecules in high vibrational levels of the singlet ground state. Then in a second step, a 50 W broadband laser at 1071 nm, which bandwidth is about 2 nm, is used to transfer the molecules to lower vibrational levels via optical pumping through the excited state. This process transfers the molecules from vibrational levels around ν ~= 113 to a distribution of levels below ν = 35 . The molecules can be further cooled using a broadband light source near 685 nm. In order to obtain such broadband source, we have used a 5 mW superluminescent diode, which is amplified in a tapered amplifier using a double pass configuration. After the amplification, the spectrum is properly shaped and we end up with about 90 mW distributed in the 682-689 nm range. The final vibrational distribution is probed using resonance-enhanced multiphoton ionization with a pulsed dye laser near 670 nm operating at 4KHz. The results are presented and compared with theoretical simulations. This work was supported by Fapesp and INCT-IQ.

  5. Ultra-cold molecule production.

    SciTech Connect

    Ramirez-Serrano, Jamie; Chandler, David W.; Strecker, Kevin; Rahn, Larry A.

    2005-12-01

    The production of Ultra-cold molecules is a goal of many laboratories through out the world. Here we are pursuing a unique technique that utilizes the kinematics of atomic and molecular collisions to achieve the goal of producing substantial numbers of sub Kelvin molecules confined in a trap. Here a trap is defined as an apparatus that spatially localizes, in a known location in the laboratory, a sample of molecules whose temperature is below one degree absolute Kelvin. Further, the storage time for the molecules must be sufficient to measure and possibly further cool the molecules. We utilize a technique unique to Sandia to form cold molecules from near mass degenerate collisions between atoms and molecules. This report describes the progress we have made using this novel technique and the further progress towards trapping molecules we have cooled.

  6. Covalent Chemistry beyond Molecules.

    PubMed

    Jiang, Juncong; Zhao, Yingbo; Yaghi, Omar M

    2016-03-16

    Linking molecular building units by covalent bonds to make crystalline extended structures has given rise to metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), thus bringing the precision and versatility of covalent chemistry beyond discrete molecules to extended structures. The key advance in this regard has been the development of strategies to overcome the "crystallization problem", which is usually encountered when attempting to link molecular building units into covalent solids. Currently, numerous MOFs and COFs are made as crystalline materials in which the large size of the constituent units provides for open frameworks. The molecular units thus reticulated become part of a new environment where they have (a) lower degrees of freedom because they are fixed into position within the framework; (b) well-defined spatial arrangements where their properties are influenced by the intricacies of the pores; and (c) ordered patterns onto which functional groups can be covalently attached to produce chemical complexity. The notion of covalent chemistry beyond molecules is further strengthened by the fact that covalent reactions can be carried out on such frameworks, with full retention of their crystallinity and porosity. MOFs are exemplars of how this chemistry has led to porosity with designed metrics and functionality, chemically-rich sequences of information within their frameworks, and well-defined mesoscopic constructs in which nanoMOFs enclose inorganic nanocrystals and give them new levels of spatial definition, stability, and functionality.

  7. Dihydrino molecule identification

    SciTech Connect

    Mills, R.L.; Good, W.R. ); Shaubach, R.M. )

    1994-01-01

    Three sets of heat production and [open quotes]ash[close quotes] identification data are presented. An exothermic reaction is reported wherein the electrons of hydrogen and deuterium atoms are stimulated to relax to quantized potential energy levels below that of the [open quotes]ground state[close quotes] via electrochemical reactants K[sup +] and K[sup +]; Pd[sup 2+] and Li[sup +]; or Pd and O[sub 2] of redox energy resonant with the energy hole that stimulates this transition. Calorimetry of pulsed current and continuous electrolysis of aqueous potassium carbonate (K[sup +]/K[sup +] electrocatalytic couple) at a nickel cathode were performed. The excess output power of 41 W exceeded by a factor >8 the total input power given by the product of the electrolysis voltage and current. The product of the exothermic reaction is atoms having electrons of energy below the ground state, which are predicted to form molecules. The predicted molecules were identified by their lack of reactivity with oxygen, by separation from molecular deuterium by cryofiltration, and by mass spectroscopic analysis. 15 refs., 12 figs., 9 tabs.

  8. Modelling water molecules inside cyclic peptide nanotubes

    NASA Astrophysics Data System (ADS)

    Tiangtrong, Prangsai; Thamwattana, Ngamta; Baowan, Duangkamon

    2016-03-01

    Cyclic peptide nanotubes occur during the self-assembly process of cyclic peptides. Due to the ease of synthesis and ability to control the properties of outer surface and inner diameter by manipulating the functional side chains and the number of amino acids, cyclic peptide nanotubes have attracted much interest from many research areas. A potential application of peptide nanotubes is their use as artificial transmembrane channels for transporting ions, biomolecules and waters into cells. Here, we use the Lennard-Jones potential and a continuum approach to study the interaction of a water molecule in a cyclo[(- D-Ala- L-Ala)_4-] peptide nanotube. Assuming that each unit of a nanotube comprises an inner and an outer tube and that a water molecule is made up of a sphere of two hydrogen atoms uniformly distributed over its surface and a single oxygen atom at the centre, we determine analytically the interaction energy of the water molecule and the peptide nanotube. Using this energy, we find that, independent of the number of peptide units, the water molecule will be accepted inside the nanotube. Once inside the nanotube, we show that a water molecule prefers to be off-axis, closer to the surface of the inner nanotube. Furthermore, our study of two water molecules inside the peptide nanotube supports the finding that water molecules form an array of a 1-2-1-2 file inside peptide nanotubes. The theoretical study presented here can facilitate thorough understanding of the behaviour of water molecules inside peptide nanotubes for applications, such as artificial transmembrane channels.

  9. Method of monitoring photoactive organic molecules in-situ during gas-phase deposition of the photoactive organic molecules

    DOEpatents

    Forrest, Stephen R.; Vartanian, Garen; Rolin, Cedric

    2015-06-23

    A method for in-situ monitoring of gas-phase photoactive organic molecules in real time while depositing a film of the photoactive organic molecules on a substrate in a processing chamber for depositing the film includes irradiating the gas-phase photoactive organic molecules in the processing chamber with a radiation from a radiation source in-situ while depositing the film of the one or more organic materials and measuring the intensity of the resulting photoluminescence emission from the organic material. One or more processing parameters associated with the deposition process can be determined from the photoluminescence intensity data in real time providing useful feedback on the deposition process.

  10. Molecules Best Paper Award 2013.

    PubMed

    McPhee, Derek J

    2013-02-05

    Molecules has started to institute a "Best Paper" award to recognize the most outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published in Molecules. We are pleased to announce the second "Molecules Best Paper Award" for 2013.

  11. [Drug treatments, from chlorpromazine to new molecules].

    PubMed

    Gaillard, Adeline; Poirier, Marie-France

    2013-01-01

    The history of drug treatments, and particularly the discovery of certain molecules, led toan evolution in psychiatric practices. The discovery of the therapeutic properties of chlorpromazine in 1952 by Jean Delay and Pierre Deniker revolutionised the relational process between patients and caregivers.The perspectives are encouraging, notably in the areas of schizophrenia and mood disorders.

  12. Polypetide signaling molecules in plant development

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Intercellular communication mediated by small signaling molecules is a key mechanism for coordinating plant growth and development. In the past few years, polypeptide signals have been shown to play prominent roles in processes as diverse as shoot and root meristem maintenance, vascular differentiat...

  13. Automated imaging system for single molecules

    DOEpatents

    Schwartz, David Charles; Runnheim, Rodney; Forrest, Daniel

    2012-09-18

    There is provided a high throughput automated single molecule image collection and processing system that requires minimal initial user input. The unique features embodied in the present disclosure allow automated collection and initial processing of optical images of single molecules and their assemblies. Correct focus may be automatically maintained while images are collected. Uneven illumination in fluorescence microscopy is accounted for, and an overall robust imaging operation is provided yielding individual images prepared for further processing in external systems. Embodiments described herein are useful in studies of any macromolecules such as DNA, RNA, peptides and proteins. The automated image collection and processing system and method of same may be implemented and deployed over a computer network, and may be ergonomically optimized to facilitate user interaction.

  14. Molecules in the Spotlight

    SciTech Connect

    Cryan, James

    2010-01-26

    SLAC has just unveiled the world's first X-ray laser, the LCLS. This machine produces pulses of X-rays that are ten billion times brighter than those from conventional sources. One of the goals of this machine is to make movies of chemical reactions, including reactions necessary for life and reactions that might power new energy technologies. This public lecture will show the first results from the LCLS. As a first target, we have chosen nitrogen gas, the main component of the air we breathe. Using the unprecedented power of the LCLS X-rays as a blasting torch, we have created new forms of this molecule and with unique electronic arrangements. Please share with us the first insights from this new technology.

  15. Sphere-pac fuel development program. First semi-annual progress report, October 1979-March 1980

    SciTech Connect

    Felt, R.E.

    1980-05-01

    Development of processes by Exxon Nuclear Company, Inc. for fabricating spherical particle nuclear fuel (sphere-pac) during October 1979 through March 1980 is reported. The program surveyed available technology to develop an initial flowsheet as a design basis for process development. An 0.1 ton/day pilot plant was built to develop and demonstrate the fabrication of sphere-pac fuel. Process and equipment efforts have been directed towards the demonstration of processes and equipment necessary to fabricate sphere-pac fuel on a commercial scale.

  16. Fiber-mesh photonic molecule

    NASA Astrophysics Data System (ADS)

    Mishra, Subodha; Satpathy, Sashi

    2008-03-01

    Analogous to the photonic crystal, we introduce the concept of a fiber-mesh photonic molecule made up of optical fibers and study its transmission characteristics. We consider a specific example of a photonic molecule, inspired by the well-known C60 molecule, with the arms of the molecule formed out of single-moded optical fibers. The transmittance consists of sharp peaks determined by the pole structure of the scattering matrix in the complex energy plane. A molecule can be designed to control the positions and the widths of the transmission peaks, opening up the possibility of building new photonic devices such as high quality band-pass filters.

  17. Single-molecule electrophoresis. Final report

    SciTech Connect

    Castro, A.; Shera, E.B.

    1996-05-22

    A novel method for the detection and identification of single molecules in solution has been devised, computer-simulated, and experimentally achieved. The technique involves the determination of electrophoretic velocities by measuring the time required by individual molecules to travel a fixed distance between two laser beams. Computer simulations of the process were performed beforehand in order to estimate the experimental feasibility of the method, and to determine the optimum values for the various experimental parameters. Examples of the use of the technique for the ultrasensitive detection and identification of rhodamine-6G, a mixture of DNA restriction fragments, and a mixture of proteins in aqueous solution are presented.

  18. Separations Science and Technology, Semiannual progress report, October 1991--March 1992

    SciTech Connect

    Vandegrift, G.F.; Betts, S.; Chamberlain, D.B.

    1994-01-01

    This document reports on the work done by the Separations Science and Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1991--March 1992. This effort is mainly concerned with developing the TRUEX process for removing and concentrating actinides from acidic waste streams contaminated with transuranic (TRU) elements. The objectives of TRUEX processing are to recover valuable TRU elements and to lower disposal costs for the nonTRU waste product of the process. Two other projects are underway with the objective of developing (1) a membrane-assisted solvent extraction method for treating natural and process waters contaminated by volatile organic compounds and (2) evaporation technology for concentrating radioactive waste and product streams such as those generated by the TRUEX process.

  19. Separation science and technology. Semiannual progress report, April 1992--September 1992

    SciTech Connect

    Vandegrift, G.F.; Betts, S.; Bowers, D.L.

    1994-09-01

    This document reports on the work done by the Separations Science and Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April-September 1992. This effort is mainly concerned with developing the TRUEX process for removing and concentrating actinides from acidic waste streams contaminated with transuranic (TRU) elements. The objectives of TRUEX processing are to recover valuable TRU elements and to lower disposal costs for the nonTRU waste product of the process. Two other projects are underway with the objective of developing (1) a membrane-assisted solvent extraction method for treating natural and process waters contaminated by volatile organic compounds and (2) evaporation technology for concentrating radioactive waste and product streams such as those generated by the TRUEX process.

  20. The impact of two semiannual treatments with albendazole alone on lymphatic filariasis and soil-transmitted helminth infections: a community-based study in the Republic of Congo.

    PubMed

    Pion, Sébastien D S; Chesnais, Cédric B; Bopda, Jean; Louya, Frédéric; Fischer, Peter U; Majewski, Andrew C; Weil, Gary J; Boussinesq, Michel; Missamou, François

    2015-05-01

    Implementation of mass drug administration (MDA) with ivermectin plus albendazole (ALB) for lymphatic filariasis (LF) has been delayed in central Africa because of the risk of serious adverse events in subjects with high Loa loa microfilaremia. We conducted a community trial to assess the impact of semiannual MDA with ALB (400 mg) alone on LF and soil-transmitted helminth (STH) infections in the Republic of Congo. Evaluation at 12 months showed that ALB MDA had not significantly reduced Wuchereria bancrofti antigenemia or microfilaria (mf) rates in the community (from 17.3% to 16.6% and from 5.3% to 4.2%, respectively). However, the geometric mean mf count in mf-positive subjects was reduced from 202.2 to 80.9 mf/mL (60% reduction, P = 0.01). The effect of ALB was impressive in 38 subjects who were mf-positive at baseline and retested at 12 months: 37% had total mf clearance, and individual mf densities were reduced by 73.0%. MDA also dramatically reduced the hookworm infection rate in the community from 6.5% to 0.6% (91% reduction), with less impressive effects on Ascaris and Trichuris. These preliminary results suggest that semiannual community MDA with ALB is a promising strategy for controlling LF and STH in areas with coendemic loiasis.

  1. Novel p-wave superfluids of fermionic polar molecules

    PubMed Central

    Fedorov, A. K.; Matveenko, S. I.; Yudson, V. I.; Shlyapnikov, G. V.

    2016-01-01

    Recently suggested subwavelength lattices offer remarkable prospects for the observation of novel superfluids of fermionic polar molecules. It becomes realistic to obtain a topological p-wave superfluid of microwave-dressed polar molecules in 2D lattices at temperatures of the order of tens of nanokelvins, which is promising for topologically protected quantum information processing. Another foreseen novel phase is an interlayer p-wave superfluid of polar molecules in a bilayer geometry. PMID:27278711

  2. Quantum phase gate and controlled entanglement with polar molecules

    SciTech Connect

    Charron, Eric; Keller, Arne; Atabek, Osman; Milman, Perola

    2007-03-15

    We propose an alternative scenario for the generation of entanglement between rotational quantum states of two polar molecules. This entanglement arises from dipole-dipole interaction, and is controlled by a sequence of laser pulses simultaneously exciting both molecules. We study the efficiency of the process, and discuss possible experimental implementations with cold molecules trapped in optical lattices or in solid matrices. Finally, various entanglement detection procedures are presented, and their suitability for these two physical situations is analyzed.

  3. Hydrogen sulfide and polysulfides as signaling molecules

    PubMed Central

    KIMURA, Hideo

    2015-01-01

    Hydrogen sulfide (H2S) is a familiar toxic gas that smells of rotten eggs. After the identification of endogenous H2S in the mammalian brain two decades ago, studies of this molecule uncovered physiological roles in processes such as neuromodulation, vascular tone regulation, cytoprotection against oxidative stress, angiogenesis, anti-inflammation, and oxygen sensing. Enzymes that produce H2S, such as cystathionine β-synthase, cystathionine γ-lyase, and 3-mercaptopyruvate sulfurtransferase have been studied intensively and well characterized. Polysulfides, which have a higher number of inner sulfur atoms than that in H2S, were recently identified as potential signaling molecules that can activate ion channels, transcription factors, and tumor suppressors with greater potency than that of H2S. This article focuses on our contribution to the discovery of these molecules and their metabolic pathways and mechanisms of action. PMID:25864468

  4. Torsional and rotational couplings in nonrigid molecules

    NASA Astrophysics Data System (ADS)

    Omiste, Juan J.; Madsen, Lars Bojer

    2017-02-01

    We analyze theoretically the interplay between the torsional and the rotational motion of an aligned biphenyl-like molecule. To do so, we consider a transition between two electronic states with different internal torsional potentials, induced by means of a resonant laser pulse. The change in the internal torsional potential provokes the motion of the torsional wave packet in the excited electronic state, modifying the structure of the molecule, and hence, its inertia tensor. We find that this process has a strong impact on the rotational wave function, displaying different behavior depending on the electronic states involved and their associated torsional potentials. We describe the dynamics of the system by considering the degree of alignment and the expectation values of the angular momentum operators for the overall rotation of the molecule.

  5. Small molecule modifiers of circadian clocks.

    PubMed

    Chen, Zheng; Yoo, Seung-Hee; Takahashi, Joseph S

    2013-08-01

    Circadian clocks orchestrate 24-h oscillations of essential physiological and behavioral processes in response to daily environmental changes. These clocks are remarkably precise under constant conditions yet highly responsive to resetting signals. With the molecular composition of the core oscillator largely established, recent research has increasingly focused on clock-modifying mechanisms/molecules. In particular, small molecule modifiers, intrinsic or extrinsic, are emerging as powerful tools for understanding basic clock biology as well as developing putative therapeutic agents for clock-associated diseases. In this review, we will focus on synthetic compounds capable of modifying the period, phase, or amplitude of circadian clocks, with particular emphasis on the mammalian clock. We will discuss the potential of exploiting these small molecule modifiers in both basic and translational research.

  6. Geranyl diphosphate synthase molecules, and nucleic acid molecules encoding same

    DOEpatents

    Croteau, Rodney Bruce; Burke, Charles Cullen

    2008-06-24

    In one aspect, the present invention provides isolated nucleic acid molecules that each encode a geranyl diphosphate synthase protein, wherein each isolated nucleic acid molecule hybridizes to a nucleic acid molecule consisting of the sequence set forth in SEQ ID NO:1 under conditions of 5.times.SSC at 45.degree. C. for one hour. The present invention also provides isolated geranyl diphosphate synthase proteins, and methods for altering the level of expression of geranyl diphosphate synthase protein in a host cell.

  7. Bioinspired assembly of small molecules in cell milieu.

    PubMed

    Wang, Huaimin; Feng, Zhaoqianqi; Xu, Bing

    2017-03-30

    Self-assembly, the autonomous organization of components to form patterns or structures, is a prevalent process in nature at all scales. Particularly, biological systems offer remarkable examples of diverse structures (as well as building blocks) and processes resulting from self-assembly. The exploration of bioinspired assemblies not only allows for mimicking the structures of living systems, but it also leads to functions for applications in different fields that benefit humans. In the last several decades, efforts on understanding and controlling self-assembly of small molecules have produced a large library of candidates for developing the biomedical applications of assemblies of small molecules. Moreover, recent findings in biology have provided new insights on the assemblies of small molecules to modulate essential cellular processes (such as apoptosis). These observations indicate that the self-assembly of small molecules, as multifaceted entities and processes to interact with multiple proteins, can have profound biological impacts on cells. In this review, we illustrate that the generation of assemblies of small molecules in cell milieu with their interactions with multiple cellular proteins for regulating cellular processes can result in primary phenotypes, thus providing a fundamentally new molecular approach for controlling cell behavior. By discussing the correlation between molecular assemblies in nature and the assemblies of small molecules in cell milieu, illustrating the functions of the assemblies of small molecules, and summarizing some guiding principles, we hope this review will stimulate more molecular scientists to explore the bioinspired self-assembly of small molecules in cell milieu.

  8. Organic Molecules in Meteorites

    NASA Astrophysics Data System (ADS)

    Martins, Zita

    2015-08-01

    Carbonaceous meteorites are primitive samples from the asteroid belt, containing 3-5wt% organic carbon. The exogenous delivery of organic matter by carbonaceous meteorites may have contributed to the organic inventory of the early Earth. The majority (>70%) of the meteoritic organic material consist of insoluble organic matter (IOM) [1]. The remaining meteoritic organic material (<30%) consists of a rich organic inventory of soluble organic compounds, including key compounds important in terrestrial biochemistry [2-4]. Different carbonaceous meteorites contain soluble organic molecules with different abundances and distributions, which may reflect the extension of aqueous alteration or thermal metamorphism on the meteorite parent bodies. Extensive aqueous alteration on the meteorite parent body may result on 1) the decomposition of α-amino acids [5, 6]; 2) synthesis of β- and γ-amino acids [2, 6-9]; 3) higher relative abundances of alkylated polycyclic aromatic hydrocarbons (PAHs) [6, 10]; and 4) higher L-enantiomer excess (Lee) value of isovaline [6, 11, 12].The soluble organic content of carbonaceous meteorites may also have a contribution from Fischer-Tropsch/Haber-Bosch type gas-grain reactions after the meteorite parent body cooled to lower temperatures [13, 14].The analysis of the abundances and distribution of the organic molecules present in meteorites helps to determine the physical and chemical conditions of the early solar system, and the prebiotic organic compounds available on the early Earth.[1] Cody and Alexander (2005) GCA 69, 1085. [2] Cronin and Chang (1993) in: The Chemistry of Life’s Origin. pp. 209-258. [3] Martins and Sephton (2009) in: Amino acids, peptides and proteins in organic chemistry. pp. 1-42. [4] Martins (2011) Elements 7, 35. [5] Botta et al. (2007) MAPS 42, 81. [6] Martins et al. (2015) MAPS, in press. [7] Cooper and Cronin (1995) GCA 59, 1003. [8] Glavin et al. (2006) MAPS. 41, 889. [9] Glavin et al. (2011) MAPS 45, 1948. [10

  9. Separation Science and Technology semiannual progress report, October 1992--March 1993

    SciTech Connect

    Vandegrift, G.F.; Betts, S.; Bowers, D.L.

    1995-01-01

    This document reports on the work done by the Separations Science and Technology Section of the Chemical Technology Division, Argonne National Laboratory, in the period October 1992--March 1993. This effort is mainly concerned with developing the TRUEX process for removing and concentrating actinides from acidic waste streams contaminated with transuranic (TRU) elements. The objectives of TRUEX processing are to recover valuable TRU elements and to lower disposal costs for the nonTRU waste product of the process. Two other projects are underway with the objective of developing (1) evaporation technology for concentrating radioactive waste and product streams such as those generated by the TRUEX process and (2) treatment schemes for liquid wastes stored or being generated at Argonne.

  10. Separation science and technology. Semiannual progress report, October 1993--March 1994

    SciTech Connect

    Vandegrift, G.F.; Aase, S.B.; Buchholz, B.

    1997-12-01

    This document reports on the work done by the Separations Science and Technology Programs of the Chemical Technology Division, Argonne National Laboratory (ANL), in the period October 1993-March 1994. This effort is mainly concerned with developing the TRUEX process for removing and concentrating actinides from acidic waste streams contaminated with transuranic (TRU) elements. The objectives of TRUEX processing are to recover valuable TRU elements and to lower disposal costs for the nonTRU waste product of the process. Other projects are underway with the objective of developing (1) evaporation technology for concentrating radioactive waste and product streams such as those generated by the TRUEX process, (2) treatment schemes for liquid wastes stored are being generated at ANL, (3) a process based on sorbing modified TRUEX solvent on magnetic beads to be used for separation of contaminants from radioactive and hazardous waste streams, and (4) a process that uses low-enriched uranium targets for production of {sup 99}Mo for nuclear medicine uses.

  11. Separation Science and Technology. Semiannual progress report, April 1993--September 1993

    SciTech Connect

    Vandegrift, G.F.; Chamberlain, D.B.; Conner, C.

    1996-01-01

    This document reports on the work done by the Separations Science and Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April-September 1993. This effort is mainly concerned with developing the TRUEX process for removing and concentrating actinides from acidic waste streams contaminated with transuranic (TRU) elements. The objectives of TRUEX processing are to recover valuable TRU elements and to lower disposal costs for the nonTRU waste product of the process. Other projects are underway with the objective of developing (1) evaporation technology for concentrating radioactive waste and product streams such as those generated by the TRUEX process, (2) treatment schemes for liquid wastes stored or being generated at Argonne, (3) a process based on sorbing modified TRUEX solvent on magnetic beads to be used for separation of contaminants from radioactive and hazardous waste streams, and (4) a process that uses low-enriched uranium targets for production of {sup 99}Mo for nuclear medicine uses.

  12. Double point contact single molecule absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Howard, John Brooks

    Our primary objective with the presentation of this thesis is to utilize superconducting transport through microscopic objects to both excite and analyze the vibrational degrees of freedom of various molecules of a biological nature. The technique stems from a Josephson junction's ability to generate radiation that falls in the terahertz gap (≈ 10 THz) and consequently can be used to excite vibrational modes of simple and complex molecules. Analysis of the change in IV characteristics coupled with the differential conductance dIdV allows determination of both the absorption spectra and the vibrational modes of biological molecules. Presented here are both the theoretical foundations of superconductivity relevant to our experimental technique and the fabrication process of our samples. Comparisons between our technique and that of other absorption spectroscopy techniques are included as a means of providing a reference upon which to judge the merits of our novel procedure. This technique is meant to improve not only our understanding of the vibrational degrees of freedom of useful biological molecules, but also these molecule's structural, electronic and mechanical properties.

  13. Single molecule tracking

    DOEpatents

    Shera, E.B.

    1987-10-07

    A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photons are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions. 3 figs.

  14. Single molecule tracking

    DOEpatents

    Shera, E. Brooks

    1988-01-01

    A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photones are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions.

  15. Atmospheric trace molecule spectroscopy

    NASA Technical Reports Server (NTRS)

    Farmer, C. B.

    1982-01-01

    The Spacelab investigation entitled Atmospheric Trace Molecule Spectroscopy (ATMOS) is designed to obtain fundamental information related to the chemistry and physics of the Earth's upper atmosphere using the techniques of infrared absorption spectroscopy. There are two principal objectives to be met. The first is the determination, on a global scale, of the compositional structure of the upper atmosphere and its spatial variability. The establishment of this variability represents the first step toward determining the characteristic residence times for the upper atmospheric constituents; the magnitudes of their sources and sinks; and, ultimately, an understanding of their effects on the stability of the stratosphere. The second objective is to provide the high-resolution, calibrated spectral information which is essential for the detailed design of advanced instrumentation for subsequent global monitoring of specific species found to be critical to atmospheric stability. This information will be disseminated in the form of a three dimensional atlas of solar absorption spectra obtained over a range of latitudes, longitudes, and altitudes.

  16. Single Molecule Studies of Chromatin

    SciTech Connect

    Jeans, C; Thelen, M P; Noy, A

    2006-02-06

    In eukaryotic cells, DNA is packaged as chromatin, a highly ordered structure formed through the wrapping of the DNA around histone proteins, and further packed through interactions with a number of other proteins. In order for processes such as DNA replication, DNA repair, and transcription to occur, the structure of chromatin must be remodeled such that the necessary enzymes can access the DNA. A number of remodeling enzymes have been described, but our understanding of the remodeling process is hindered by a lack of knowledge of the fine structure of chromatin, and how this structure is modulated in the living cell. We have carried out single molecule experiments using atomic force microscopy (AFM) to study the packaging arrangements in chromatin from a variety of cell types. Comparison of the structures observed reveals differences which can be explained in terms of the cell type and its transcriptional activity. During the course of this project, sample preparation and AFM techniques were developed and optimized. Several opportunities for follow-up work are outlined which could provide further insight into the dynamic structural rearrangements of chromatin.

  17. Recycle of contaminated scrap metal, Volume 2. Semi-annual report, September 1993--January 1996

    SciTech Connect

    1996-07-01

    Catalytic Extraction Processing (CEP) has been demonstrated to be a robust, one-step process that is relatively insensitive to wide variations in waste composition and is applicable to a broad spectrum of DOE wastes. Catalytic Processing Unit (CPU) design models have been validated through experimentation to provide a high degree of confidence in our ability to design a bulk solids CPU for processing DOE wastes. Two commercial CEP facilities have been placed in commission and are currently processing mixed low level wastes. These facilities provide a compelling indication of the maturity, regulatory acceptance, and commercial viability of CEP. In concert with the DOE, Nolten Metal Technology designed a program which would challenge preconceptions of the limitations of waste processing technologies: demonstrate the recycling of ferrous and non-ferrous metals--to establish that radioactively contaminated scrap metal could be converted to high-grade, ferrous and non-ferrous alloys which can be reused by DOE or reintroduced into commerce; immobilize radionuclides--that CEP would concentrate the radionuclides in a durable vitreous phase, minimize secondary waste generation and stabilize and reduce waste volume; destroy hazardous organics--that CEP would convert hazardous organics to valuable industrial gases, which could be used as an energy source; recover volatile heavy metals--that CEP`s off-gas treatment system would capture volatile heavy metals, such as mercury and lead; and establish that CEP is economical for processing contaminated scrap metal in the DOE inventory. The execution of this program resulted in all objectives being met. Volume II contains: Task 1.4, optimization of the vitreous phase for stabilization of radioactive species; Task 1.5, experimental testing of Resource Conservation and Recovery Act (RCRA) wastes; and Task 1.6, conceptual design of a CEP facility.

  18. Recycle of contaminated scrap metal, Volume 1. Semi-annual report, September 1993--January 1996

    SciTech Connect

    1996-07-01

    Catalytic Extraction Processing (CEP) has been demonstrated to be a robust, one-step process that is relatively insensitive to wide variations in waste composition and is applicable to a broad spectrum of DOE wastes. Catalytic Processing Unit (CPU) design models have been validated through experimentation to provide a high degree of confidence in our ability to design a bulk solids CPU for processing DOE wastes. Two commercial CEP facilities have been placed in commission and are currently processing mixed low level wastes. These facilities provide a compelling indication of the maturity, regulatory acceptance, and commercial viability of CEP. In concert with the DOE, Nolten Metal Technology designed a program which would challenge preconceptions of the limitations of waste processing technologies: demonstrate the recycling of ferrous and non-ferrous metals--to establish that radioactively contaminated scrap metal could be converted to high-grade, ferrous and non-ferrous alloys which can be reused by DOE or reintroduced into commerce; immobilize radionuclides--that CEP would concentrate the radionuclides in a durable vitreous phase, minimize secondary waste generation and stabilize and reduce waste volume; destroy hazardous organics--that CEP would convert hazardous organics to valuable industrial gases, which could be used as an energy source; recover volatile heavy metals--that CEP`s off-gas treatment system would capture volatile heavy metals, such as mercury and lead; establish that CEP is economical for processing contaminated scrap metal in the DOE inventory. The execution of this program resulted in all objectives being met. Volume I covers: executive summary; task 1.1 design CEP system; Task 1.2 experimental test plan; Task 1.3 experimental testing.

  19. A clinical case-based hypothesis: secretory IgA operates as an electronic transistor controlling the selection or rejection of molecules in the absorption process in the lumen of gastrointestinal tract

    PubMed Central

    Zamm, Alfred V

    2013-01-01

    There is a clinical correlation between (1) an allergic patient’s ability to resist the development of symptoms that would have resulted from an allergenic challenge, (2) the magnitude of geomagnetism at a geographic site, and (3) the amount of solar energy falling on that site. It is suggested that the digestive membrane has an electronic gatekeeper that “decides” electronically which molecules to allow or not allow to pass on to the absorptive surface. The unique bipolar structure of secretory immunoglobulin A (IgA), having a central secretory piece and the resultant unique electronic function of this polarized molecule, allows it to function as an electronic transistor, producing an electronic gatekeeper in the form of an electronic sieve. PMID:24068871

  20. A clinical case-based hypothesis: secretory IgA operates as an electronic transistor controlling the selection or rejection of molecules in the absorption process in the lumen of gastrointestinal tract.

    PubMed

    Zamm, Alfred V

    2013-01-01

    There is a clinical correlation between (1) an allergic patient's ability to resist the development of symptoms that would have resulted from an allergenic challenge, (2) the magnitude of geomagnetism at a geographic site, and (3) the amount of solar energy falling on that site. It is suggested that the digestive membrane has an electronic gatekeeper that "decides" electronically which molecules to allow or not allow to pass on to the absorptive surface. The unique bipolar structure of secretory immunoglobulin A (IgA), having a central secretory piece and the resultant unique electronic function of this polarized molecule, allows it to function as an electronic transistor, producing an electronic gatekeeper in the form of an electronic sieve.

  1. Tropical Western Pacific site science mission plan. Semiannual project report, January--June 1998

    SciTech Connect

    Ackerman, T.; Mather, J.; Clements, W.; Barnes, F.

    1998-11-01

    The Department of Energy`s Atmospheric Radiation Measurement (ARM) program was created in 1989 as part of the US Global Change Research Program to improve the treatment of atmospheric radiative and cloud processes in computer models used to predict climate change. The overall goal of the ARM program is to develop and test parameterizations of important atmospheric processes, particularly cloud and radiative processes, for use in atmospheric models. This goal is being achieved through a combination of field measurements and modeling studies. Three primary locales were chosen for extensive field measurement facilities. These are the Southern Great Plains (SGP) of the United States, the Tropical Western Pacific (TWP), and the North Slope of Alaska and Adjacent Arctic Ocean (NSA/AAO). This Site Science Mission Plan [RPT(TWP)-010.000] describes the ARM program in the Tropical Western Pacific locale.

  2. HTGR Generic Technology Program. Semiannual report for the period ending September 30, 1980

    SciTech Connect

    Not Available

    1980-11-01

    This document reports the technical accomplishments on the HTGR Generic Technology Program at General Atomic during the second half of FY-80. It covers a period when the design direction of the National HTGR Program is in the process of an overall review. The HTGR Generic Technology Program activities have continued so as to provide the basic technology required for all HTGR applications. The activities include the need to develop an LEU fuel and the need to qualify materials and components for the higher temperatures of the gas turbines and process heat plants.

  3. Electrical Transport through Organic Molecules

    NASA Astrophysics Data System (ADS)

    Lau, C. N.; Chang, Shun-Chi; Williams, Stan

    2003-03-01

    We investigate electrical transport properties of single organic molecules using electromigration break junctions[1]. A self-assembled monolayer of various organic molecules such as 1,4-di(phenylethynyl-4'-methanethiol)benzene was grown on narrow metal wires, and single or a few molecules were incorporated into the junctions which were created by applying a large voltage and breaking the wires. The transport properties of these molecules were then measured at low temperatures. Latest experimental results will be discussed. [1] Park, J. et al, Nature, 417, 722 (2002); Liang W. et al, Nature, 417, 725 (2002).

  4. Electron Attachment to Molecules at Low Electron Energies

    NASA Technical Reports Server (NTRS)

    Chutjian, A.; Garscadden, A.; Wadehra, J. M.

    1994-01-01

    One of the most efficient ways of producing negative ions is by the process of dissociative electron attachment to molecules. Here, a diatomic or polyatomic molecule dissociates, by the impact of a low energy electron, into component atoms (or smaller molecular species) while the incident electron attaches itself to one of the dissociating fragments.

  5. Single-molecule techniques for drug discovery.

    PubMed

    Skinner, Gary M; Visscher, Koen

    2004-08-01

    Single-molecule techniques offer a number of key benefits over conventional in vitro assay methods for drug screening, as they use less material and unlock the ability to observe transient states. By observing such states, it should be possible to screen for chemical compounds that isolate these steps. The benefit of this is twofold: (a) inhibitors can be found that target key phases in biochemical processes, e.g., transcription initiation; and (b) the total number of drug targets increases as many biochemical processes consist of many transient steps, e.g., transcription promoter binding, initiation, elongation, and termination. Although single-molecule methods offer exciting opportunities for new ways of discovering drugs, there are a number of obstacles to their adoption for drug screening. The main hurdle is to develop robust apparatus that will allow many thousands of individual single molecule experiments to be performed in parallel. By using recently developed integrated microfluidics technology, this hurdle may be overcome. Here, a number of potential single-molecule approaches to drug screening are presented along with a discussion of the benefits and technical obstacles that must be overcome.

  6. The formation of molecules in protostellar winds

    NASA Technical Reports Server (NTRS)

    Glassgold, A. E.; Mamon, G. A.; Huggins, P. J.

    1991-01-01

    The production and destruction processes for molecules in very fast protostellar winds are analyzed and modeled with a one-dimensional chemical kinetics code. Radial density and temperature distributions suggested by protostellar theory are explored as are a range of mass-loss rates. The efficiency of in situ formation of heavy molecules is found to be high if the wind temperature falls sufficiently rapidly, as indicated by theory. The degree of molecular conversion is a strong function of the mass-loss rate and of density gradients associated with the acceleration and collimation of the wind. Even in cases where essentially all of the heavy atoms are processed into molecules, a significant fraction of atomic hydrogen remains so that hghly molecular, protostellar winds are able to emit the 21-cm line. Although CO has a substantial abundance in most models relevant to very young protostars, high abundances of other molecules such as SiO and H2O signify more complete association characteristic of winds containing regions of very high density. Although the models apply only to regions close to the protostar, they are in qualitative accord with recent observations at much larger distances of both atomic and molecular emission from extremely high-velocity flow.

  7. Progress in Computational Electron-Molecule Collisions

    NASA Astrophysics Data System (ADS)

    Rescigno, Tn

    1997-10-01

    The past few years have witnessed tremendous progress in the development of sophisticated ab initio methods for treating collisions of slow electrons with isolated small molecules. Researchers in this area have benefited greatly from advances in computer technology; indeed, the advent of parallel computers has made it possible to carry out calculations at a level of sophistication inconceivable a decade ago. But bigger and faster computers are only part of the picture. Even with today's computers, the practical need to study electron collisions with the kinds of complex molecules and fragments encountered in real-world plasma processing environments is taxing present methods beyond their current capabilities. Since extrapolation of existing methods to handle increasingly larger targets will ultimately fail as it would require computational resources beyond any imagined, continued progress must also be linked to new theoretical developments. Some of the techniques recently introduced to address these problems will be discussed and illustrated with examples of electron-molecule collision calculations we have carried out on some fairly complex target gases encountered in processing plasmas. Electron-molecule scattering continues to pose many formidable theoretical and computational challenges. I will touch on some of the outstanding open questions.

  8. Semi-annual report, summary of Rockwell International - Energy Systems Group contribution. [LMFBR

    SciTech Connect

    Not Available

    1981-01-01

    In the decontamination task, emphasis during this report period was on determining the effect of various sensitization conditions on the metal removal rate for various stainless steel alloys, using the reference decontamination process. An accurate prediction of metal removal rate is necessary to determine the optimum process time. Results to date indicate that alloys exposed to sodium at reactor conditions show a higher metal removal rate than the same types of alloys exposed to equivalent time-temperature conditions in a vacuum. Other decontamination work included preparations for determining the effect of the reference decontamination process on hardfacing alloys and assistance in design modifications of the Clinch River Reactor decontamination system. In the program task to develop an evaporative process to remove sodium from a full-size fuel subassembly, progress was made in the final assembly of the evaporation system. The test article, a fuel subassembly, was modified by adding heaters to simulate gamma heating. Thermocouples were attached at suitable internal and external positions. The vacuum containment system was assembled and leak checked. The assembly of the system is progressing on schedule and will be conpleted during the next report period.

  9. HTGR Fuel Technology Program. Semiannual report for the period ending March 31, 1983

    SciTech Connect

    Not Available

    1983-07-01

    This document reports the technical accomplishments of the HTGR Fuel Technology Program at GA Technologies Inc. during the first half of FY 83. The activities include the fuel process, fuel materials, fuel cycle, fission product transport, core component verification, and core technology transfer tasks necessary to support the design and development of a steam cycle/cogeneration (SC/C) version of the HTGR.

  10. Fusion reactor materials: Semiannual progress report for the period ending March 31, 1988

    SciTech Connect

    none,

    1988-08-01

    This report contains papers on thermonuclear reactor materials. The general categories of these papers are: irradiation facilities, test matrices, and experimental methods; dosimetry, damage parameters and activation calculations; materials engineering and design requirements; fundamental mechanical behavior; development of structural alloys; solid breeding materials; ceramics; and radiation effects. Selected papers have been processed for inclusion in the energy database. (LSP)

  11. Mining for Molecules in the Milky Way

    NASA Astrophysics Data System (ADS)

    2008-06-01

    Scientists are using the giant Robert C. Byrd Green Bank Telescope (GBT) to go prospecting in a rich molecular cloud in our Milky Way Galaxy. They seek to discover new, complex molecules in interstellar space that may be precursors to life. The GBT and Molecules The Robert C. Byrd Green Bank Telescope and some molecules it has discovered. CREDIT: Bill Saxton, NRAO/AUI/NSF "Clouds like this one are the raw material for new stars and planets. We know that complex chemistry builds prebiotic molecules in such clouds long before the stars and planets are formed. There is a good chance that some of these interstellar molecules may find their way to the surface of young planets such as the early Earth, and provide a head start for the chemistry of life. For the first time, we now have the capability to make a very thorough and methodical search to find all the chemicals in the clouds," said Anthony Remijan, of the National Radio Astronomy Observatory (NRAO). In the past three years, Remijan and his colleagues have used the GBT to discover ten new interstellar molecules, a feat unequalled in such a short time by any other team or telescope. The scientists discovered those molecules by looking specifically for them. However, they now are changing their strategy and casting a wide net designed to find whatever molecules are present, without knowing in advance what they'll find. In addition, they are making their data available freely to other scientists, in hopes of speeding the discovery process. The research team presented its plan to the American Astronomical Society's meeting in St. Louis, MO. As molecules rotate and vibrate, they emit radio waves at specific frequencies. Each molecule has a unique pattern of such frequencies, called spectral lines, that constitutes a "fingerprint" identifying that molecule. Laboratory tests can determine the pattern of spectral lines that identifies a specific molecule. Most past discoveries came from identifying a molecule's pattern in

  12. Task 3 - pyrolysis of plastic waste. Semi-annual report, April 1--September 30, 1996

    SciTech Connect

    1997-05-01

    This report briefly describes progress in the development of a thermal decomposition process for volume reduction of spent ion-exchange resin. During the reporting period, two series of tests were performed. The mixed waste plastics test investigated the effectiveness of the process in concentrating radionuclide surrogates in a solids residual while yielding a surrogate-free condensate product. Preliminary results indicated the occurrence of solids carryover. The ion-exchange resin tests resulted in a cesium concentration in the unfiltered condensate of about 4 to 20 micrograms/gram, indicating that fine particulate material was passing through the reactor cyclone. Future work includes the evaluation of an auger reactor in place of the fluidized bed reactor to address the problem of reactor carryover. 2 figs., 7 tabs.

  13. Computed potential energy surfaces for chemical reactions. Semiannual report, 1 January-30 June 1990

    SciTech Connect

    Walch, S.P.

    1990-01-01

    The objective was to obtain accurate potential energy surfaces (PES's) for a number of reactions which are important in the H/N/O combustion process. The interest in this is centered around the design of the SCRAM jet engine for the National Aerospace Plane (NASP), which was envisioned as an air-breathing hydrogen-burning vehicle capable of reaching velocities as large as Mach 25. Preliminary studies indicated that the supersonic flow in the combustor region of the scram jet engine required accurate reaction rate data for reactions in the H/N/O system, some of which was not readily available from experiment. The most important class of combustion reactions from the standpoint of the NASP project are radical recombinaton reactions, since these reactions result in most of the heat release in the combustion process. Theoretical characterizations of the potential energy surfaces for these reactions are presented and discussed.

  14. Four Mile Creek semi-annual sampling report, July 1992 sampling event

    SciTech Connect

    Not Available

    1992-10-14

    From 1955 to 1988 low-level radioactive wastewater generated by chemical separation processes within the General Separations Area (GSA) were discharged to seepage basins in the F and H Areas of the Savannah River Site (SRS). These basins were designed to permit the infiltration of the process wastewaters. As wastewater percolated downward through the basins, chemical and radioactive constituents were retained or delayed in the subsoils. An extensive study aimed at characterizing the groundwater seeping into Four Mile Creek and its associated seepline was conducted in 1988 and 1989 (Haselow et al. 1990). Results of this study suggested that contaminants leaching from the F and H Area seepage basins were impacting the Four Mile Creek wetland system.

  15. Desorption of Hot Molecules from Photon Irradiated Interstellar Ices

    NASA Astrophysics Data System (ADS)

    Thrower, J. D.; Burke, D. J.; Collings, M. P.; Dawes, A.; Holtom, P. D.; Jamme, F.; Kendall, P.; Brown, W. A.; Clark, I. P.; Fraser, H. J.; McCoustra, M. R. S.; Mason, N. J.; Parker, A. W.

    2008-02-01

    We present experimental measurements of photodesorption from ices of astrophysical relevance. Layers of benzene and water ice were irradiated with a laser tuned to an electronic transition in the benzene molecule. The translational energy of desorbed molecules was measured by time-of-flight (ToF) mass spectrometry. Three distinct photodesorption processes were identified: a direct adsorbate-mediated desorption producing benzene molecules with a translational temperature of around 1200 K, an indirect adsorbate-mediated desorption resulting in water molecules with a translational temperature of around 450 K, and a substrate-mediated desorption of both benzene and water producing molecules with translational temperatures of around 530 and 450 K, respectively. The translational temperature of each population of desorbed molecules is well above the temperature of the ice matrix. The implications for gas-phase chemistry in the interstellar medium are discussed.

  16. Theory of Long-Range Ultracold Atom-Molecule Photoassociation.

    PubMed

    Pérez-Ríos, Jesús; Lepers, Maxence; Dulieu, Olivier

    2015-08-14

    The creation of ultracold molecules is currently limited to diatomic species. In this Letter, we present a theoretical description of the photoassociation of ultracold atoms and molecules to create ultracold excited triatomic molecules, thus being a novel example of a light-assisted ultracold chemical reaction. The calculation of the photoassociation rate of an ultracold Cs_{2} molecule in its rovibrational ground state with an ultracold Cs atom at frequencies close to its resonant excitation is reported, based on the solution of the quantum dynamics involving the atom-molecule long-range interactions and assuming a model potential for the short-range physics. The rate for the formation of excited Cs_{3} molecules is predicted to be comparable with currently observed atom-atom photoassociation rates. We formulate an experimental proposal to observe this process relying on the available techniques of optical lattices and standard photoassociation spectroscopy.

  17. A Thermodynamic Model for Predicting Phosphorus Partition between CaO-based Slags and Hot Metal during Hot Metal Dephosphorization Pretreatment Process Based on the Ion and Molecule Coexistence Theory

    NASA Astrophysics Data System (ADS)

    Yang, Xue-min; Li, Jin-yan; Chai, Guo-ming; Duan, Dong-ping; Zhang, Jian

    2016-08-01

    A thermodynamic model for predicting phosphorus partition L P between a CaO-based slags and hot metal during hot metal dephosphorization pretreatment process has been developed based on the ion and molecule coexistence theory (IMCT), i.e., the IMCT- L P model. The reaction abilities of structural units or ion couples in the CaO-based slags have been represented by the calculated mass action concentrations N i through the developed IMCT- N i model based on the IMCT. The developed IMCT- L P model has been verified to be valid through comparing with the measured L P as well as the predicted L P by two reported L P models from the literature. Besides the total phosphorus partition L P between the CaO-based slag and hot metal, the respective phosphorus partitions L P, i of nine dephosphorization products as P2O5, 3FeO·P2O5, 4FeO·P2O5, 2CaO·P2O5, 3CaO·P2O5, 4CaO·P2O5, 2MgO·P2O5, 3MgO·P2O5, and 3MnO·P2O5 can also be accurately predicted by the developed IMCT- L P model. The formed 3CaO·P2O5 accounts for 99.20 pct of dephosphorization products comparing with the generated 4CaO·P2O5 for 0.08 pct. The comprehensive effect of CaO+Fe t O, which can be described by the mass percentage ratio (pct Fe t O)/(pct CaO) or the mass action concentration ratio N_{Fe}t O/N_{Fe}t O N_{CaO}. N_{CaO}} as well as the mass percentage product (pct Fe t O) × (pct CaO) or the mass action concentration product N_{{{{Fe}}t {{O}}}}5 × N_{{CaO}}3 , controls dephosphorization ability of the CaO-based slags. A linear relationship of L P against (pct Fe t O)/(pct CaO) can be correlated compared with a parabolic relationship of L P against N_{Fe}t O/N_{Fe}t O N_{CaO}. N_{CaO}, while the linear relationship of L P against (pct Fe t O) × (pct CaO) or N_{Fe}t O5 × N_{CaO}3 can be established. Thus, the mass percentage product (pct Fe t O) × (pct CaO) and the mass action concentration product N_{Fe}t O5 × N_{CaO}3 are recommended to represent the comprehensive effect of CaO+Fe t O on

  18. Semiannual Report to the Congress. April 1, 2012 - September 30, 2012

    DTIC Science & Technology

    2012-10-01

    Audit Function 09/10/2012 DoD IG DODIG-2012-143 ISO 9001 :2008 Quality Assurance Assessment of Defense Acquisition University Processes 09/27/2012...initiated the F-35 AS9100 Quality Management System assessment to review conformity to speci- fied quality management system(s), con- Executive Summary...Forces; first focusing on tools to conduct periodic as- IG Highlights DoD IG reviewed the F-35 quality management system. APRIL 1, 2012 TO SEPTEMBER 30

  19. Inspector General, Department of Defense, Semiannual Report to the Congress, April 1, 2010 - September 30, 2010

    DTIC Science & Technology

    2010-10-01

    Justice and other investigative agencies to bring corrupt individuals to justice criminally , civilly, and administratively to send out a unified message...establishes policy and outlines procedures for submitting DNA samples to the U.S. Army Criminal Investigation Laboratory for processing, and...FBI, the Combined DNA Index System, for comparison with samples previously col- lected and associated with criminal investi- gations. • This

  20. Loosely-Bound Diatomic Molecules.

    ERIC Educational Resources Information Center

    Balfour, W. J.

    1979-01-01

    Discusses concept of covalent bonding as related to homonuclear diatomic molecules. Article draws attention to the existence of bound rare gas and alkaline earth diatomic molecules. Summarizes their molecular parameters and offers spectroscopic data. Strength and variation with distance of interatomic attractive forces is given. (Author/SA)